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

C23H26N8O — CID 155678657

IUPAC3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC4CC(N(C)C)C4)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C23H26N8O/c1-13-11-26-18-7-6-14(12-31(13)18)19-20(17-5-4-8-25-17)29-22(24)21(28-19)23(32)27-15-9-16(10-15)30(2)3/h4-8,11-12,15-16,25H,9-10H2,1-3H3,(H2,24,29)(H,27,32)
InChIKeySBEWBCCGRYWUDF-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.50
Rot. Bonds5

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

3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678657) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678657
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC4CC(N(C)C)C4)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C23H26N8O/c1-13-11-26-18-7-6-14(12-31(13)18)19-20(17-5-4-8-25-17)29-22(24)21(28-19)23(32)27-15-9-16(10-15)30(2)3/h4-8,11-12,15-16,25H,9-10H2,1-3H3,(H2,24,29)(H,27,32)
InChIKeySBEWBCCGRYWUDF-UHFFFAOYSA-N
XLogP2.50
TPSA117.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678657) is 3-amino-N-[3-(dimethylamino)cyclobutyl]-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-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NC4CC(N(C)C)C4)c(N)nc3-c3ccc[nH]3)cn12.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is SBEWBCCGRYWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-13-11-26-18-7-6-14(12-31(13)18)19-20(17-5-4-8-25-17)29-22(24)21(28-19)23(32)27-15-9-16(10-15)30(2)3/h4-8,11-12,15-16,25H,9-10H2,1-3H3,(H2,24,29)(H,27,32).
What are the key properties of 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)cyclobutyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).