3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one

C23H26N8O — CID 171100863

IUPAC3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ncc(N[C@H]2CC[C@H](Nc3ccc(-n4c(=O)n(C)c5cccnc54)cn3)C2)nc1C
InChIInChI=1S/C23H26N8O/c1-14-15(2)27-21(13-25-14)29-17-7-6-16(11-17)28-20-9-8-18(12-26-20)31-22-19(5-4-10-24-22)30(3)23(31)32/h4-5,8-10,12-13,16-17H,6-7,11H2,1-3H3,(H,26,28)(H,27,29)/t16-,17-/m0/s1
InChIKeySCHPQJXAVIHKHF-IRXDYDNUSA-N
MW430.52 g/mol
LogP2.97
Rot. Bonds5

About 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 171100863) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID171100863
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ncc(N[C@H]2CC[C@H](Nc3ccc(-n4c(=O)n(C)c5cccnc54)cn3)C2)nc1C
InChIInChI=1S/C23H26N8O/c1-14-15(2)27-21(13-25-14)29-17-7-6-16(11-17)28-20-9-8-18(12-26-20)31-22-19(5-4-10-24-22)30(3)23(31)32/h4-5,8-10,12-13,16-17H,6-7,11H2,1-3H3,(H,26,28)(H,27,29)/t16-,17-/m0/s1
InChIKeySCHPQJXAVIHKHF-IRXDYDNUSA-N
XLogP2.97
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

3-[6-[[(1S,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 177336201
tert-butyl N-[(1S,3S)-3-[[5-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-2-pyridinyl]amino]cyclopentyl]carbamate
CID 177336254
1-[(4-methoxyphenyl)methyl]-3-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 177336356
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 177336315
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
3-[6-[[(2R)-4-hydroxy-2-[[(6-methyl-1,2,4-triazin-3-yl)amino]methyl]butyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171101039
3-[6-[[(1S,3S)-3-[(5-chloropyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione
CID 171100700
1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)pyridin-2-one
CID 171100734
3-[6-[[(1S,3S)-3-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazolidine-2,4-dione
CID 171767437
1-[6-[[(1S,3S)-3-[(5-methylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-3-(trifluoromethoxy)pyridin-2-one
CID 171100945
1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171767458

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 171100863) is 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one is Cc1ncc(N[C@H]2CC[C@H](Nc3ccc(-n4c(=O)n(C)c5cccnc54)cn3)C2)nc1C.
What is the InChIKey of 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is SCHPQJXAVIHKHF-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H26N8O/c1-14-15(2)27-21(13-25-14)29-17-7-6-16(11-17)28-20-9-8-18(12-26-20)31-22-19(5-4-10-24-22)30(3)23(31)32/h4-5,8-10,12-13,16-17H,6-7,11H2,1-3H3,(H,26,28)(H,27,29)/t16-,17-/m0/s1.
What are the key properties of 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 430.52 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(1S,3S)-3-[(5,6-dimethylpyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 171100863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).