1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C27H25FN6O — CID 58382704

IUPAC1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H25FN6O/c28-20-7-5-17(6-8-20)15-23(35)33-12-9-18(10-13-33)27-32-24(25-26(29)30-11-14-34(25)27)22-16-19-3-1-2-4-21(19)31-22/h1-8,11,14,16,18,31H,9-10,12-13,15H2,(H2,29,30)
InChIKeyRAIKFOVPCCPLDX-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.55
Rot. Bonds4

About 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 58382704) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID58382704
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESNc1nccn2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H25FN6O/c28-20-7-5-17(6-8-20)15-23(35)33-12-9-18(10-13-33)27-32-24(25-26(29)30-11-14-34(25)27)22-16-19-3-1-2-4-21(19)31-22/h1-8,11,14,16,18,31H,9-10,12-13,15H2,(H2,29,30)
InChIKeyRAIKFOVPCCPLDX-UHFFFAOYSA-N
XLogP4.55
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
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3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
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Gsk2656157
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4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
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1-[7-(1H-benzimidazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507883

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 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) is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is Nc1nccn2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is RAIKFOVPCCPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c28-20-7-5-17(6-8-20)15-23(35)33-12-9-18(10-13-33)27-32-24(25-26(29)30-11-14-34(25)27)22-16-19-3-1-2-4-21(19)31-22/h1-8,11,14,16,18,31H,9-10,12-13,15H2,(H2,29,30).
What are the key properties of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 468.54 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 58382704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).