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

C22H23N7O2 — CID 155669203

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3S)-oxolan-3-yl]methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC[C@@H]4CCOC4)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C22H23N7O2/c1-13-9-25-17-5-4-15(11-29(13)17)18-19(16-3-2-7-24-16)28-21(23)20(27-18)22(30)26-10-14-6-8-31-12-14/h2-5,7,9,11,14,24H,6,8,10,12H2,1H3,(H2,23,28)(H,26,30)/t14-/m0/s1
InChIKeyAAFXXMYLRAFENA-AWEZNQCLSA-N
MW417.47 g/mol
LogP2.44
Rot. Bonds5

About 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

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 (PubChem CID 155669203) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3S)-oxolan-3-yl]methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155669203
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[[(3S)-oxolan-3-yl]methyl]-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NC[C@@H]4CCOC4)c(N)nc3-c3ccc[nH]3)cn12
InChIInChI=1S/C22H23N7O2/c1-13-9-25-17-5-4-15(11-29(13)17)18-19(16-3-2-7-24-16)28-21(23)20(27-18)22(30)26-10-14-6-8-31-12-14/h2-5,7,9,11,14,24H,6,8,10,12H2,1H3,(H2,23,28)(H,26,30)/t14-/m0/s1
InChIKeyAAFXXMYLRAFENA-AWEZNQCLSA-N
XLogP2.44
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.44
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-[[(3R)-oxolan-3-yl]methyl]-5-pyridin-2-ylpyrazine-2-carboxamide
CID 155209421
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
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-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-(oxan-4-ylmethyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146380252
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-[[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-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
CID 155209338
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2ccc(-c3nc(C(=O)NC[C@@H]4CCOC4)c(N)nc3-c3ccc[nH]3)cn12.
What is the InChIKey of 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?
The InChIKey is AAFXXMYLRAFENA-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13-9-25-17-5-4-15(11-29(13)17)18-19(16-3-2-7-24-16)28-21(23)20(27-18)22(30)26-10-14-6-8-31-12-14/h2-5,7,9,11,14,24H,6,8,10,12H2,1H3,(H2,23,28)(H,26,30)/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 417.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155669203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).