3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C22H21N7O — CID 155678764

IUPAC3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC45CC(C4)C5)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C22H21N7O/c1-12-10-25-16-5-4-14(11-29(12)16)17-18(15-3-2-6-24-15)27-20(23)19(26-17)21(30)28-22-7-13(8-22)9-22/h2-6,10-11,13,24H,7-9H2,1H3,(H2,23,27)(H,28,30)
InChIKeyVVDOVYUYOGGPCW-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678764) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678764
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC45CC(C4)C5)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C22H21N7O/c1-12-10-25-16-5-4-14(11-29(12)16)17-18(15-3-2-6-24-15)27-20(23)19(26-17)21(30)28-22-7-13(8-22)9-22/h2-6,10-11,13,24H,7-9H2,1H3,(H2,23,27)(H,28,30)
InChIKeyVVDOVYUYOGGPCW-UHFFFAOYSA-N
XLogP2.96
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678764) is 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NC45CC(C4)C5)c(N)nc3-c3ccc[nH]3)cn12.
What is the InChIKey of 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is VVDOVYUYOGGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-12-10-25-16-5-4-14(11-29(12)16)17-18(15-3-2-6-24-15)27-20(23)19(26-17)21(30)28-22-7-13(8-22)9-22/h2-6,10-11,13,24H,7-9H2,1H3,(H2,23,27)(H,28,30).
What are the key properties of 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-bicyclo[1.1.1]pentanyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).