4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide

C16H21N5O — CID 70993346

IUPAC4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide
SMILESCC(C)(CCC(N)=O)n1cc(-c2ccnc3c2CCN3)cn1
InChIInChI=1S/C16H21N5O/c1-16(2,6-3-14(17)22)21-10-11(9-20-21)12-4-7-18-15-13(12)5-8-19-15/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,17,22)(H,18,19)
InChIKeyQUACUUXKLWAZJS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.91
Rot. Bonds5

About 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide

4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide (PubChem CID 70993346) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide
PubChem CID70993346
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide
SMILESCC(C)(CCC(N)=O)n1cc(-c2ccnc3c2CCN3)cn1
InChIInChI=1S/C16H21N5O/c1-16(2,6-3-14(17)22)21-10-11(9-20-21)12-4-7-18-15-13(12)5-8-19-15/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,17,22)(H,18,19)
InChIKeyQUACUUXKLWAZJS-UHFFFAOYSA-N
XLogP1.91
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide?
The IUPAC name of 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide (CID 70993346) is 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide is CC(C)(CCC(N)=O)n1cc(-c2ccnc3c2CCN3)cn1.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide?
The InChIKey is QUACUUXKLWAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-16(2,6-3-14(17)22)21-10-11(9-20-21)12-4-7-18-15-13(12)5-8-19-15/h4,7,9-10H,3,5-6,8H2,1-2H3,(H2,17,22)(H,18,19).
What are the key properties of 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide?
4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide has a molecular weight of 299.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide is sourced from PubChem (CID 70993346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).