1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone

C107H108N38O6 — CID 158616843

IUPAC1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3cc(N)n[nH]3)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3ncn[nH]3)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12
InChIInChI=1S/C29H28N10O.C27H27N7O2.C26H26N12O.C25H27N9O2/c1-17-16-38(20-9-11-37(12-10-20)29(40)23-13-24(30)36-35-23)28-25(17)26(31)39-27(34-28)21(15-33-39)19-7-8-22(32-14-19)18-5-3-2-4-6-18;1-17-15-33(20-9-11-32(12-10-20)23(36)16-35)27-24(17)25(28)34-26(31-27)21(14-30-34)19-7-8-22(29-13-19)18-5-3-2-4-6-18;1-15-13-37(17-5-9-36(10-6-17)26(39)23-29-14-30-33-23)25-21(15)22(27)38-24(32-25)18(12-31-38)16-3-4-19(28-11-16)20-7-8-35(2)34-20;1-15-13-33(17-5-9-32(10-6-17)21(36)14-35)25-22(15)23(26)34-24(29-25)18(12-28-34)16-3-4-19(27-11-16)20-7-8-31(2)30-20/h2-8,13-16,20H,9-12,31H2,1H3,(H3,30,35,36);2-8,13-15,20,35H,9-12,16,28H2,1H3;3-4,7-8,11-14,17H,5-6,9-10,27H2,1-2H3,(H,29,30,33);3-4,7-8,11-13,17,35H,5-6,9-10,14,26H2,1-2H3
InChIKeyHXMPPHCOBKLCCD-UHFFFAOYSA-N
MW2022.30 g/mol
LogP12.37
Rot. Bonds16

About 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone

1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 158616843) has the molecular formula C107H108N38O6 and a molecular weight of 2022.30 g/mol. Its IUPAC name is 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID158616843
Molecular FormulaC107H108N38O6
Molecular Weight2022.30 g/mol
Exact Mass2020.93
IUPAC Name1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3cc(N)n[nH]3)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3ncn[nH]3)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12
InChIInChI=1S/C29H28N10O.C27H27N7O2.C26H26N12O.C25H27N9O2/c1-17-16-38(20-9-11-37(12-10-20)29(40)23-13-24(30)36-35-23)28-25(17)26(31)39-27(34-28)21(15-33-39)19-7-8-22(32-14-19)18-5-3-2-4-6-18;1-17-15-33(20-9-11-32(12-10-20)23(36)16-35)27-24(17)25(28)34-26(31-27)21(14-30-34)19-7-8-22(29-13-19)18-5-3-2-4-6-18;1-15-13-37(17-5-9-36(10-6-17)26(39)23-29-14-30-33-23)25-21(15)22(27)38-24(32-25)18(12-31-38)16-3-4-19(28-11-16)20-7-8-35(2)34-20;1-15-13-33(17-5-9-32(10-6-17)21(36)14-35)25-22(15)23(26)34-24(29-25)18(12-28-34)16-3-4-19(27-11-16)20-7-8-31(2)30-20/h2-8,13-16,20H,9-12,31H2,1H3,(H3,30,35,36);2-8,13-15,20,35H,9-12,16,28H2,1H3;3-4,7-8,11-14,17H,5-6,9-10,27H2,1-2H3,(H,29,30,33);3-4,7-8,11-13,17,35H,5-6,9-10,14,26H2,1-2H3
InChIKeyHXMPPHCOBKLCCD-UHFFFAOYSA-N
XLogP12.37
TPSA549.73 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.30
LogP ≤ 512.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone (CID 158616843) is 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone is Cc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)CO)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3cc(N)n[nH]3)CC2)c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c12.Cc1cn(C2CCN(C(=O)c3ncn[nH]3)CC2)c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N)c12.
What is the InChIKey of 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is HXMPPHCOBKLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N10O.C27H27N7O2.C26H26N12O.C25H27N9O2/c1-17-16-38(20-9-11-37(12-10-20)29(40)23-13-24(30)36-35-23)28-25(17)26(31)39-27(34-28)21(15-33-39)19-7-8-22(32-14-19)18-5-3-2-4-6-18;1-17-15-33(20-9-11-32(12-10-20)23(36)16-35)27-24(17)25(28)34-26(31-27)21(14-30-34)19-7-8-22(29-13-19)18-5-3-2-4-6-18;1-15-13-37(17-5-9-36(10-6-17)26(39)23-29-14-30-33-23)25-21(15)22(27)38-24(32-25)18(12-31-38)16-3-4-19(28-11-16)20-7-8-35(2)34-20;1-15-13-33(17-5-9-32(10-6-17)21(36)14-35)25-22(15)23(26)34-24(29-25)18(12-28-34)16-3-4-19(27-11-16)20-7-8-31(2)30-20/h2-8,13-16,20H,9-12,31H2,1H3,(H3,30,35,36);2-8,13-15,20,35H,9-12,16,28H2,1H3;3-4,7-8,11-14,17H,5-6,9-10,27H2,1-2H3,(H,29,30,33);3-4,7-8,11-13,17,35H,5-6,9-10,14,26H2,1-2H3.
What are the key properties of 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone?
1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 2022.30 g/mol, XLogP of 12.37, 16 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;[4-[2-amino-4-methyl-10-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-(3-amino-1H-pyrazol-5-yl)methanone;1-[4-[2-amino-4-methyl-10-(6-phenyl-3-pyridinyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 158616843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).