4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

C74H70ClN17O5S — CID 159779813

IUPAC4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)N1CC=C(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12
InChIInChI=1S/C27H25N5O2.C25H23N5O2S.C22H22ClN7O/c28-25-24-23(21-15-19-7-4-8-20(22(19)30-21)16-5-2-1-3-6-16)31-26(32(24)14-13-29-25)17-9-11-18(12-10-17)27(33)34;26-23-22-21(18-13-16-3-1-4-17(20(16)28-18)19-5-2-12-33-19)29-24(30(22)11-10-27-23)14-6-8-15(9-7-14)25(31)32;1-28(2)22(31)29-9-6-13(7-10-29)21-27-18(19-20(24)25-8-11-30(19)21)16-12-14-4-3-5-15(23)17(14)26-16/h1-8,13-15,17-18,30H,9-12H2,(H2,28,29)(H,33,34);1-5,10-15,28H,6-9H2,(H2,26,27)(H,31,32);3-6,8,11-12,26H,7,9-10H2,1-2H3,(H2,24,25)
InChIKeyNHFCTZXVZZPWEV-UHFFFAOYSA-N
MW1345.01 g/mol
LogP14.92
Rot. Bonds10

About 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 159779813) has the molecular formula C74H70ClN17O5S and a molecular weight of 1345.01 g/mol. Its IUPAC name is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID159779813
Molecular FormulaC74H70ClN17O5S
Molecular Weight1345.01 g/mol
Exact Mass1343.52
IUPAC Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)N1CC=C(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12
InChIInChI=1S/C27H25N5O2.C25H23N5O2S.C22H22ClN7O/c28-25-24-23(21-15-19-7-4-8-20(22(19)30-21)16-5-2-1-3-6-16)31-26(32(24)14-13-29-25)17-9-11-18(12-10-17)27(33)34;26-23-22-21(18-13-16-3-1-4-17(20(16)28-18)19-5-2-12-33-19)29-24(30(22)11-10-27-23)14-6-8-15(9-7-14)25(31)32;1-28(2)22(31)29-9-6-13(7-10-29)21-27-18(19-20(24)25-8-11-30(19)21)16-12-14-4-3-5-15(23)17(14)26-16/h1-8,13-15,17-18,30H,9-12H2,(H2,28,29)(H,33,34);1-5,10-15,28H,6-9H2,(H2,26,27)(H,31,32);3-6,8,11-12,26H,7,9-10H2,1-2H3,(H2,24,25)
InChIKeyNHFCTZXVZZPWEV-UHFFFAOYSA-N
XLogP14.92
TPSA314.15 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001345.01
LogP ≤ 514.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 159779813) is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is CN(C)C(=O)N1CC=C(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is NHFCTZXVZZPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C25H23N5O2S.C22H22ClN7O/c28-25-24-23(21-15-19-7-4-8-20(22(19)30-21)16-5-2-1-3-6-16)31-26(32(24)14-13-29-25)17-9-11-18(12-10-17)27(33)34;26-23-22-21(18-13-16-3-1-4-17(20(16)28-18)19-5-2-12-33-19)29-24(30(22)11-10-27-23)14-6-8-15(9-7-14)25(31)32;1-28(2)22(31)29-9-6-13(7-10-29)21-27-18(19-20(24)25-8-11-30(19)21)16-12-14-4-3-5-15(23)17(14)26-16/h1-8,13-15,17-18,30H,9-12H2,(H2,28,29)(H,33,34);1-5,10-15,28H,6-9H2,(H2,26,27)(H,31,32);3-6,8,11-12,26H,7,9-10H2,1-2H3,(H2,24,25).
What are the key properties of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1345.01 g/mol, XLogP of 14.92, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 159779813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).