5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine

C19H22N4O — CID 78318435

IUPAC5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(CC4CC4)n3)cc12
InChIInChI=1S/C19H22N4O/c1-12-8-20-19-16(12)6-15(9-21-19)17-7-18(14-4-5-24-11-14)23(22-17)10-13-2-3-13/h6-9,13-14H,2-5,10-11H2,1H3,(H,20,21)
InChIKeyWSIPZUUYEPUZBM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.65
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine

5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 78318435) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID78318435
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(-c3cc(C4CCOC4)n(CC4CC4)n3)cc12
InChIInChI=1S/C19H22N4O/c1-12-8-20-19-16(12)6-15(9-21-19)17-7-18(14-4-5-24-11-14)23(22-17)10-13-2-3-13/h6-9,13-14H,2-5,10-11H2,1H3,(H,20,21)
InChIKeyWSIPZUUYEPUZBM-UHFFFAOYSA-N
XLogP3.65
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine (CID 78318435) is 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc(-c3cc(C4CCOC4)n(CC4CC4)n3)cc12.
What is the InChIKey of 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WSIPZUUYEPUZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-8-20-19-16(12)6-15(9-21-19)17-7-18(14-4-5-24-11-14)23(22-17)10-13-2-3-13/h6-9,13-14H,2-5,10-11H2,1H3,(H,20,21).
What are the key properties of 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine?
5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 322.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)-5-(oxolan-3-yl)pyrazol-3-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 78318435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).