1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one

C24H26N6O2 — CID 177336315

IUPAC1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)n(-c3ccc(N[C@H]4CC[C@H](N)C4)nc3)c3cccnc32)cc1
InChIInChI=1S/C24H26N6O2/c1-32-20-9-4-16(5-10-20)15-29-23-21(3-2-12-26-23)30(24(29)31)19-8-11-22(27-14-19)28-18-7-6-17(25)13-18/h2-5,8-12,14,17-18H,6-7,13,15,25H2,1H3,(H,27,28)/t17-,18-/m0/s1
InChIKeyBIVBJFVQQHPWCE-ROUUACIJSA-N
MW430.51 g/mol
LogP2.93
Rot. Bonds6

About 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one

1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 177336315) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one
PubChem CID177336315
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCOc1ccc(Cn2c(=O)n(-c3ccc(N[C@H]4CC[C@H](N)C4)nc3)c3cccnc32)cc1
InChIInChI=1S/C24H26N6O2/c1-32-20-9-4-16(5-10-20)15-29-23-21(3-2-12-26-23)30(24(29)31)19-8-11-22(27-14-19)28-18-7-6-17(25)13-18/h2-5,8-12,14,17-18H,6-7,13,15,25H2,1H3,(H,27,28)/t17-,18-/m0/s1
InChIKeyBIVBJFVQQHPWCE-ROUUACIJSA-N
XLogP2.93
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one (CID 177336315) is 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one is COc1ccc(Cn2c(=O)n(-c3ccc(N[C@H]4CC[C@H](N)C4)nc3)c3cccnc32)cc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is BIVBJFVQQHPWCE-ROUUACIJSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-32-20-9-4-16(5-10-20)15-29-23-21(3-2-12-26-23)30(24(29)31)19-8-11-22(27-14-19)28-18-7-6-17(25)13-18/h2-5,8-12,14,17-18H,6-7,13,15,25H2,1H3,(H,27,28)/t17-,18-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 430.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 177336315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).