[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C17H19N5O2 — CID 70708320

IUPAC[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)c1ccc3nccn3c1)C2
InChIInChI=1S/C17H19N5O2/c1-2-22-15-5-7-21(10-13(15)14(11-23)19-22)17(24)12-3-4-16-18-6-8-20(16)9-12/h3-4,6,8-9,23H,2,5,7,10-11H2,1H3
InChIKeyOGENGYMBRHGCAS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.24
Rot. Bonds3

About [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 70708320) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID70708320
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCCn1nc(CO)c2c1CCN(C(=O)c1ccc3nccn3c1)C2
InChIInChI=1S/C17H19N5O2/c1-2-22-15-5-7-21(10-13(15)14(11-23)19-22)17(24)12-3-4-16-18-6-8-20(16)9-12/h3-4,6,8-9,23H,2,5,7,10-11H2,1H3
InChIKeyOGENGYMBRHGCAS-UHFFFAOYSA-N
XLogP1.24
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 70708320) is [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is CCn1nc(CO)c2c1CCN(C(=O)c1ccc3nccn3c1)C2.
What is the InChIKey of [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is OGENGYMBRHGCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-22-15-5-7-21(10-13(15)14(11-23)19-22)17(24)12-3-4-16-18-6-8-20(16)9-12/h3-4,6,8-9,23H,2,5,7,10-11H2,1H3.
What are the key properties of [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 70708320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).