[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone

C17H23N5O — CID 138050918

IUPAC[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C17H23N5O/c1-17(2)10-18-7-8-22(17)16(23)12-5-6-19-15-14(12)20-13(21-15)9-11-3-4-11/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,19,20,21)
InChIKeyJSNHSCGQSZLZJY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.73
Rot. Bonds3

About [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone

[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 138050918) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID138050918
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C17H23N5O/c1-17(2)10-18-7-8-22(17)16(23)12-5-6-19-15-14(12)20-13(21-15)9-11-3-4-11/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,19,20,21)
InChIKeyJSNHSCGQSZLZJY-UHFFFAOYSA-N
XLogP1.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 138050918) is [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1ccnc2nc(CC3CC3)[nH]c12.
What is the InChIKey of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is JSNHSCGQSZLZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2)10-18-7-8-22(17)16(23)12-5-6-19-15-14(12)20-13(21-15)9-11-3-4-11/h5-6,11,18H,3-4,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 138050918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).