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

C23H25N7O2 — CID 155678634

IUPAC3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4OCC4(C)C)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C23H25N7O2/c1-13-9-26-17-7-6-14(11-30(13)17)18-19(15-5-4-8-25-15)29-21(24)20(28-18)22(31)27-10-16-23(2,3)12-32-16/h4-9,11,16,25H,10,12H2,1-3H3,(H2,24,29)(H,27,31)
InChIKeyJRFSWCOLQHOTCU-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.83
Rot. Bonds5

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

3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678634) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678634
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4OCC4(C)C)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C23H25N7O2/c1-13-9-26-17-7-6-14(11-30(13)17)18-19(15-5-4-8-25-15)29-21(24)20(28-18)22(31)27-10-16-23(2,3)12-32-16/h4-9,11,16,25H,10,12H2,1-3H3,(H2,24,29)(H,27,31)
InChIKeyJRFSWCOLQHOTCU-UHFFFAOYSA-N
XLogP2.83
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3S)-oxolan-3-yl]methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155669203
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
3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678655
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[1-(oxolan-2-yl)ethyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678736
3-amino-N-(3-methoxycyclobutyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155669219
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
3-amino-N-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678693
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1H-pyrrol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide
CID 155678687
3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(4-methylmorpholin-2-yl)methyl]pyrazine-2-carboxamide
CID 146380208
3-amino-5-(4-fluorophenyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2-carboxamide
CID 146380306
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 155209222
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]-5-pyridin-2-ylpyrazine-2-carboxamide
CID 155209421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678634) is 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-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-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCC4OCC4(C)C)c(N)nc3-c3ccc[nH]3)cn12.
What is the InChIKey of 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is JRFSWCOLQHOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-13-9-26-17-7-6-14(11-30(13)17)18-19(15-5-4-8-25-15)29-21(24)20(28-18)22(31)27-10-16-23(2,3)12-32-16/h4-9,11,16,25H,10,12H2,1-3H3,(H2,24,29)(H,27,31).
What are the key properties of 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,3-dimethyloxetan-2-yl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).