4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

C69H72N20O4 — CID 158209565

IUPAC4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccnc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H25N7O.C22H25N7O.C21H22N6O2/c27-25-24-23(21-15-19-5-1-2-6-20(19)30-21)31-26(33(24)13-10-29-25)18-7-11-32(12-8-18)22(34)14-17-4-3-9-28-16-17;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h1-6,9-10,13,15-16,18,30H,7-8,11-12,14H2,(H2,27,29);3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyGBXFVOHXLGQSAH-UHFFFAOYSA-N
MW1245.47 g/mol
LogP10.53
Rot. Bonds8

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 158209565) has the molecular formula C69H72N20O4 and a molecular weight of 1245.47 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID158209565
Molecular FormulaC69H72N20O4
Molecular Weight1245.47 g/mol
Exact Mass1244.60
IUPAC Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccnc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H25N7O.C22H25N7O.C21H22N6O2/c27-25-24-23(21-15-19-5-1-2-6-20(19)30-21)31-26(33(24)13-10-29-25)18-7-11-32(12-8-18)22(34)14-17-4-3-9-28-16-17;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h1-6,9-10,13,15-16,18,30H,7-8,11-12,14H2,(H2,27,29);3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyGBXFVOHXLGQSAH-UHFFFAOYSA-N
XLogP10.53
TPSA302.29 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001245.47
LogP ≤ 510.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

methyl N-[(1S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9-methyl-carbazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 91435032
(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 44387461
H-Pro-Trp(For)-Pro-Phe-His-Nva(Ph)(Ph)-Ile-Trp(For)-NH2
CID 73345601
H-Pro-Trp(For)-Pro-Trp(For)-His-Nva(Ph)(Ph)-Ile-Phe-NH2
CID 73347125
H-Pro-Trp(For)-Pro-Trp(For)-His-Nva(Ph)(Ph)-Ile-Trp(For)-NH2
CID 73354699
cyclo[N(PrPh)Gly-Trp-D-Phe-Trp-His(1-Me)-D-Pro]
CID 137649205
(2S)-N-[(1R)-1-[5-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1H-imidazol-2-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 44383164
Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)-
CID 5492666
H-Trp-Phe-Ile-Ile-Trp-His-Trp-Arg-Lys-Ile-Pro-Pro-Lys-NH2
CID 177655294
H-Lys-Arg-Leu-Trp-His-Lys-Val-Gly-Pro-Phe-Lys(1)-Lys(2)-NH2.H-Lys-Arg-Leu-Trp-His-Lys-Val-Gly-Pro-Phe-Lys(3)-(2).H-Lys-Arg-Leu-Trp-His-Lys-Val-Gly-Pro-Phe-(1).H-Lys-Arg-Leu-Trp-His-Lys-Val-Gly-Pro-Phe-(3)
CID 177657175
methyl N-[(2S)-1-[(2S)-2-[5-fluoro-6-[(2R,5S)-5-[6-fluoro-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[2-(4-phenylpiperidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032040
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 58382704

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 158209565) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is CN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccnc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is GBXFVOHXLGQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O.C22H25N7O.C21H22N6O2/c27-25-24-23(21-15-19-5-1-2-6-20(19)30-21)31-26(33(24)13-10-29-25)18-7-11-32(12-8-18)22(34)14-17-4-3-9-28-16-17;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h1-6,9-10,13,15-16,18,30H,7-8,11-12,14H2,(H2,27,29);3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23).
What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 1245.47 g/mol, XLogP of 10.53, 8 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158209565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).