8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide

C24H22FN7O2 — CID 25124201

IUPAC8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(NC(=O)c2nc(C3CC3)n3ccnc(N)c23)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C24H22FN7O2/c1-13-12-15(8-9-17(13)29-24(34)30-18-5-3-2-4-16(18)25)28-23(33)19-20-21(26)27-10-11-32(20)22(31-19)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H2,26,27)(H,28,33)(H2,29,30,34)
InChIKeyZAGRNUWCLVCYND-UHFFFAOYSA-N
MW459.49 g/mol
LogP4.53
Rot. Bonds5

About 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide

8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 25124201) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID25124201
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1cc(NC(=O)c2nc(C3CC3)n3ccnc(N)c23)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C24H22FN7O2/c1-13-12-15(8-9-17(13)29-24(34)30-18-5-3-2-4-16(18)25)28-23(33)19-20-21(26)27-10-11-32(20)22(31-19)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H2,26,27)(H,28,33)(H2,29,30,34)
InChIKeyZAGRNUWCLVCYND-UHFFFAOYSA-N
XLogP4.53
TPSA126.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide (CID 25124201) is 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide is Cc1cc(NC(=O)c2nc(C3CC3)n3ccnc(N)c23)ccc1NC(=O)Nc1ccccc1F.
What is the InChIKey of 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is ZAGRNUWCLVCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-13-12-15(8-9-17(13)29-24(34)30-18-5-3-2-4-16(18)25)28-23(33)19-20-21(26)27-10-11-32(20)22(31-19)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H2,26,27)(H,28,33)(H2,29,30,34).
What are the key properties of 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 459.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-cyclopropyl-N-[4-[(2-fluorophenyl)carbamoylamino]-3-methylphenyl]imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 25124201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).