(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone

C107H99Br4N29O9 — CID 160792609

IUPAC(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESNc1c(Br)c(C2CCN(C(=O)C3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CC(=O)NC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3ccco3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C27H25BrN8O3.C27H26BrN7O2.C27H23BrN6O2.C26H25BrN8O2/c28-22-23(16-8-10-35(11-9-16)26(38)20-12-21(37)33-27(39)32-20)34-25-18(14-31-36(25)24(22)29)17-6-7-19(30-13-17)15-4-2-1-3-5-15;28-23-24(17-10-12-34(13-11-17)27(37)21-8-9-22(36)32-21)33-26-19(15-31-35(26)25(23)29)18-6-7-20(30-14-18)16-4-2-1-3-5-16;28-23-24(18-10-12-33(13-11-18)27(35)22-7-4-14-36-22)32-26-20(16-31-34(26)25(23)29)19-8-9-21(30-15-19)17-5-2-1-3-6-17;27-21-22(16-8-10-34(11-9-16)25(36)20-14-30-26(37)32-20)33-24-18(13-31-35(24)23(21)28)17-6-7-19(29-12-17)15-4-2-1-3-5-15/h1-7,13-14,16,20H,8-12,29H2,(H2,32,33,37,39);1-7,14-15,17,21H,8-13,29H2,(H,32,36);1-9,14-16,18H,10-13,29H2;1-7,12-13,16,20H,8-11,14,28H2,(H2,30,32,37)/t20-;21-;;/m11../s1
InChIKeySCADUIIGTFDNTO-HDIKBCIDSA-N
MW2254.78 g/mol
LogP15.50
Rot. Bonds16

About (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone

(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 160792609) has the molecular formula C107H99Br4N29O9 and a molecular weight of 2254.78 g/mol. Its IUPAC name is (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID160792609
Molecular FormulaC107H99Br4N29O9
Molecular Weight2254.78 g/mol
Exact Mass2249.49
IUPAC Name(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESNc1c(Br)c(C2CCN(C(=O)C3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CC(=O)NC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3ccco3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C27H25BrN8O3.C27H26BrN7O2.C27H23BrN6O2.C26H25BrN8O2/c28-22-23(16-8-10-35(11-9-16)26(38)20-12-21(37)33-27(39)32-20)34-25-18(14-31-36(25)24(22)29)17-6-7-19(30-13-17)15-4-2-1-3-5-15;28-23-24(17-10-12-34(13-11-17)27(37)21-8-9-22(36)32-21)33-26-19(15-31-35(26)25(23)29)18-6-7-20(30-14-18)16-4-2-1-3-5-16;28-23-24(18-10-12-33(13-11-18)27(35)22-7-4-14-36-22)32-26-20(16-31-34(26)25(23)29)19-8-9-21(30-15-19)17-5-2-1-3-6-17;27-21-22(16-8-10-34(11-9-16)25(36)20-14-30-26(37)32-20)33-24-18(13-31-35(24)23(21)28)17-6-7-19(29-12-17)15-4-2-1-3-5-15/h1-7,13-14,16,20H,8-12,29H2,(H2,32,33,37,39);1-7,14-15,17,21H,8-13,29H2,(H,32,36);1-9,14-16,18H,10-13,29H2;1-7,12-13,16,20H,8-11,14,28H2,(H2,30,32,37)/t20-;21-;;/m11../s1
InChIKeySCADUIIGTFDNTO-HDIKBCIDSA-N
XLogP15.50
TPSA499.21 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002254.78
LogP ≤ 515.50
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone 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 (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (CID 160792609) is (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is Nc1c(Br)c(C2CCN(C(=O)C3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CC(=O)NC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(C2CCN(C(=O)c3ccco3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SCADUIIGTFDNTO-HDIKBCIDSA-N. The full InChI is InChI=1S/C27H25BrN8O3.C27H26BrN7O2.C27H23BrN6O2.C26H25BrN8O2/c28-22-23(16-8-10-35(11-9-16)26(38)20-12-21(37)33-27(39)32-20)34-25-18(14-31-36(25)24(22)29)17-6-7-19(30-13-17)15-4-2-1-3-5-15;28-23-24(17-10-12-34(13-11-17)27(37)21-8-9-22(36)32-21)33-26-19(15-31-35(26)25(23)29)18-6-7-20(30-14-18)16-4-2-1-3-5-16;28-23-24(18-10-12-33(13-11-18)27(35)22-7-4-14-36-22)32-26-20(16-31-34(26)25(23)29)19-8-9-21(30-15-19)17-5-2-1-3-6-17;27-21-22(16-8-10-34(11-9-16)25(36)20-14-30-26(37)32-20)33-24-18(13-31-35(24)23(21)28)17-6-7-19(29-12-17)15-4-2-1-3-5-15/h1-7,13-14,16,20H,8-12,29H2,(H2,32,33,37,39);1-7,14-15,17,21H,8-13,29H2,(H,32,36);1-9,14-16,18H,10-13,29H2;1-7,12-13,16,20H,8-11,14,28H2,(H2,30,32,37)/t20-;21-;;/m11../s1.
What are the key properties of (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
(6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 2254.78 g/mol, XLogP of 15.50, 16 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1,3-diazinane-2,4-dione;4-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;(5R)-5-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 160792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).