1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C26H25N7O — CID 71520398

IUPAC1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)cn1
InChIInChI=1S/C26H25N7O/c1-18-4-5-19(13-29-18)9-12-31-16-22(20-3-2-10-27-14-20)30-25(31)17-32-24-15-28-11-8-23(24)33(26(32)34)21-6-7-21/h2-5,8,10-11,13-16,21H,6-7,9,12,17H2,1H3
InChIKeyOCZUUBFAOFWXDR-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.79
Rot. Bonds7

About 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 71520398) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID71520398
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)cn1
InChIInChI=1S/C26H25N7O/c1-18-4-5-19(13-29-18)9-12-31-16-22(20-3-2-10-27-14-20)30-25(31)17-32-24-15-28-11-8-23(24)33(26(32)34)21-6-7-21/h2-5,8,10-11,13-16,21H,6-7,9,12,17H2,1H3
InChIKeyOCZUUBFAOFWXDR-UHFFFAOYSA-N
XLogP3.79
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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CID 5329435
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 71520398) is 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1ccc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)cn1.
What is the InChIKey of 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is OCZUUBFAOFWXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-18-4-5-19(13-29-18)9-12-31-16-22(20-3-2-10-27-14-20)30-25(31)17-32-24-15-28-11-8-23(24)33(26(32)34)21-6-7-21/h2-5,8,10-11,13-16,21H,6-7,9,12,17H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 451.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-[2-(6-methyl-3-pyridinyl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 71520398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).