4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide

C23H22N7O2+ — CID 57466472

IUPAC4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide
SMILESN[N+]12C=CN=CC1=C(C1CC1)N=C2C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21N7O2/c24-30-13-12-25-14-19(30)20(15-6-7-15)29-21(30)22(31)26-17-8-10-18(11-9-17)28-23(32)27-16-4-2-1-3-5-16/h1-5,8-15H,6-7,24H2,(H2-,25,26,27,28,29,31,32)/p+1
InChIKeyRIFSCFXGORKQCZ-UHFFFAOYSA-O
MW428.48 g/mol
LogP3.55
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide

4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide (PubChem CID 57466472) has the molecular formula C23H22N7O2+ and a molecular weight of 428.48 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide
PubChem CID57466472
Molecular FormulaC23H22N7O2+
Molecular Weight428.48 g/mol
Exact Mass428.18
IUPAC Name4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide
SMILESN[N+]12C=CN=CC1=C(C1CC1)N=C2C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H21N7O2/c24-30-13-12-25-14-19(30)20(15-6-7-15)29-21(30)22(31)26-17-8-10-18(11-9-17)28-23(32)27-16-4-2-1-3-5-16/h1-5,8-15H,6-7,24H2,(H2-,25,26,27,28,29,31,32)/p+1
InChIKeyRIFSCFXGORKQCZ-UHFFFAOYSA-O
XLogP3.55
TPSA120.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
2-cyclopropyl-N-phenylbenzamide
CID 71426247
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
1-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-phenylurea
CID 42874338
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
4-(4-amino-1-piperidin-2-ylimidazo[1,5-a]pyrazin-4-ium-3-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 89389147
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide (CID 57466472) is 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide is N[N+]12C=CN=CC1=C(C1CC1)N=C2C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide?
The InChIKey is RIFSCFXGORKQCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N7O2/c24-30-13-12-25-14-19(30)20(15-6-7-15)29-21(30)22(31)26-17-8-10-18(11-9-17)28-23(32)27-16-4-2-1-3-5-16/h1-5,8-15H,6-7,24H2,(H2-,25,26,27,28,29,31,32)/p+1.
What are the key properties of 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide?
4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[4-(phenylcarbamoylamino)phenyl]imidazo[1,5-a]pyrazin-4-ium-3-carboxamide is sourced from PubChem (CID 57466472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).