(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate

C28H26N6O2 — CID 129110922

IUPAC(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
SMILESO=C(Nc1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)cc12)Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C28H26N6O2/c35-28(36-24-16-31-34(19-24)18-20-7-2-1-3-8-20)32-26-17-30-27-25(26)14-22(15-29-27)21-9-6-10-23(13-21)33-11-4-5-12-33/h1-3,6-10,13-17,19H,4-5,11-12,18H2,(H,29,30)(H,32,35)
InChIKeyRLPBPGPPDGBECI-UHFFFAOYSA-N
MW478.56 g/mol
LogP5.69
Rot. Bonds6

About (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate

(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate (PubChem CID 129110922) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
PubChem CID129110922
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate
SMILESO=C(Nc1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)cc12)Oc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C28H26N6O2/c35-28(36-24-16-31-34(19-24)18-20-7-2-1-3-8-20)32-26-17-30-27-25(26)14-22(15-29-27)21-9-6-10-23(13-21)33-11-4-5-12-33/h1-3,6-10,13-17,19H,4-5,11-12,18H2,(H,29,30)(H,32,35)
InChIKeyRLPBPGPPDGBECI-UHFFFAOYSA-N
XLogP5.69
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate 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 (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The IUPAC name of (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate (CID 129110922) is (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate.
What is the SMILES notation for (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The canonical SMILES for (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate is O=C(Nc1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)cc12)Oc1cnn(Cc2ccccc2)c1.
What is the InChIKey of (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
The InChIKey is RLPBPGPPDGBECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c35-28(36-24-16-31-34(19-24)18-20-7-2-1-3-8-20)32-26-17-30-27-25(26)14-22(15-29-27)21-9-6-10-23(13-21)33-11-4-5-12-33/h1-3,6-10,13-17,19H,4-5,11-12,18H2,(H,29,30)(H,32,35).
What are the key properties of (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate?
(1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate has a molecular weight of 478.56 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl) N-[5-(3-pyrrolidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 129110922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).