1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea

C32H37N7O — CID 143120549

IUPAC1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea
SMILESCCNC(=O)N(CC)CCC(CC)Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12
InChIInChI=1S/C32H37N7O/c1-4-22(16-18-38(6-3)32(40)34-5-2)20-28-37-29(30-31(33)35-17-19-39(28)30)25-13-12-24-14-15-26(36-27(24)21-25)23-10-8-7-9-11-23/h7-15,17,19,21-22H,4-6,16,18,20H2,1-3H3,(H2,33,35)(H,34,40)
InChIKeyHUCDPNHEKUBROC-UHFFFAOYSA-N
MW535.70 g/mol
LogP6.20
Rot. Bonds10

About 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea

1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea (PubChem CID 143120549) has the molecular formula C32H37N7O and a molecular weight of 535.70 g/mol. Its IUPAC name is 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea.

Molecular Properties

Compound Name1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea
PubChem CID143120549
Molecular FormulaC32H37N7O
Molecular Weight535.70 g/mol
Exact Mass535.31
IUPAC Name1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea
SMILESCCNC(=O)N(CC)CCC(CC)Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12
InChIInChI=1S/C32H37N7O/c1-4-22(16-18-38(6-3)32(40)34-5-2)20-28-37-29(30-31(33)35-17-19-39(28)30)25-13-12-24-14-15-26(36-27(24)21-25)23-10-8-7-9-11-23/h7-15,17,19,21-22H,4-6,16,18,20H2,1-3H3,(H2,33,35)(H,34,40)
InChIKeyHUCDPNHEKUBROC-UHFFFAOYSA-N
XLogP6.20
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.70
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]butyl]piperidine-4-carboxamide
CID 71010626
4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide
CID 11699062
N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143120644
1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 11547928
4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidine-1-sulfinic acid
CID 71179512
3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11511851
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
CID 143495307
3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495280
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 157185500
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea?
The IUPAC name of 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea (CID 143120549) is 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea.
What is the SMILES notation for 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea?
The canonical SMILES for 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea is CCNC(=O)N(CC)CCC(CC)Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12.
What is the InChIKey of 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea?
The InChIKey is HUCDPNHEKUBROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O/c1-4-22(16-18-38(6-3)32(40)34-5-2)20-28-37-29(30-31(33)35-17-19-39(28)30)25-13-12-24-14-15-26(36-27(24)21-25)23-10-8-7-9-11-23/h7-15,17,19,21-22H,4-6,16,18,20H2,1-3H3,(H2,33,35)(H,34,40).
What are the key properties of 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea?
1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea has a molecular weight of 535.70 g/mol, XLogP of 6.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]pentyl]-1,3-diethylurea is sourced from PubChem (CID 143120549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).