3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one

C10H11N3O — CID 121199602

IUPAC3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1CC1CC1
InChIInChI=1S/C10H11N3O/c14-10-12-8-2-1-5-11-9(8)13(10)6-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyGMGPWKLHRXHIEC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.13
Rot. Bonds2

About 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 121199602) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID121199602
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1CC1CC1
InChIInChI=1S/C10H11N3O/c14-10-12-8-2-1-5-11-9(8)13(10)6-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyGMGPWKLHRXHIEC-UHFFFAOYSA-N
XLogP1.13
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 121199602) is 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GMGPWKLHRXHIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10-12-8-2-1-5-11-9(8)13(10)6-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,14).
What are the key properties of 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 121199602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).