4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide

C30H31N7O2 — CID 66826468

IUPAC4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C30H31N7O2/c31-25(38)7-4-12-33-18-30(39)16-22(17-30)29-36-26(27-28(32)34-13-14-37(27)29)21-9-8-20-10-11-23(35-24(20)15-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-15,22,33,39H,4,7,12,16-18H2,(H2,31,38)(H2,32,34)
InChIKeyFKPVHOQMPYCJBA-UHFFFAOYSA-N
MW521.63 g/mol
LogP3.66
Rot. Bonds9

About 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide

4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide (PubChem CID 66826468) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide.

Molecular Properties

Compound Name4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide
PubChem CID66826468
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide
SMILESNC(=O)CCCNCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
InChIInChI=1S/C30H31N7O2/c31-25(38)7-4-12-33-18-30(39)16-22(17-30)29-36-26(27-28(32)34-13-14-37(27)29)21-9-8-20-10-11-23(35-24(20)15-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-15,22,33,39H,4,7,12,16-18H2,(H2,31,38)(H2,32,34)
InChIKeyFKPVHOQMPYCJBA-UHFFFAOYSA-N
XLogP3.66
TPSA144.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide?
The IUPAC name of 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide (CID 66826468) is 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide.
What is the SMILES notation for 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide?
The canonical SMILES for 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide is NC(=O)CCCNCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.
What is the InChIKey of 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide?
The InChIKey is FKPVHOQMPYCJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c31-25(38)7-4-12-33-18-30(39)16-22(17-30)29-36-26(27-28(32)34-13-14-37(27)29)21-9-8-20-10-11-23(35-24(20)15-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,13-15,22,33,39H,4,7,12,16-18H2,(H2,31,38)(H2,32,34).
What are the key properties of 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide?
4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide has a molecular weight of 521.63 g/mol, XLogP of 3.66, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-hydroxycyclobutyl]methylamino]butanamide is sourced from PubChem (CID 66826468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).