Skip to content

N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C34H33FN6O3 — CID 122688110

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)cc(-c2c[nH]c3ncc(C(=O)NC4CC4)cc23)c1
InChIInChI=1S/C34H33FN6O3/c1-20(2)44-27-13-22(17-37-31-28(4-3-11-36-31)34(43)40-16-21-5-7-25(35)8-6-21)12-23(14-27)30-19-39-32-29(30)15-24(18-38-32)33(42)41-26-9-10-26/h3-8,11-15,18-20,26H,9-10,16-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42)
InChIKeyOXTPFJGEWXLOSN-UHFFFAOYSA-N
MW592.68 g/mol
LogP5.99
Rot. Bonds11

About N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 122688110) has the molecular formula C34H33FN6O3 and a molecular weight of 592.68 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID122688110
Molecular FormulaC34H33FN6O3
Molecular Weight592.68 g/mol
Exact Mass592.26
IUPAC NameN-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)cc(-c2c[nH]c3ncc(C(=O)NC4CC4)cc23)c1
InChIInChI=1S/C34H33FN6O3/c1-20(2)44-27-13-22(17-37-31-28(4-3-11-36-31)34(43)40-16-21-5-7-25(35)8-6-21)12-23(14-27)30-19-39-32-29(30)15-24(18-38-32)33(42)41-26-9-10-26/h3-8,11-15,18-20,26H,9-10,16-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42)
InChIKeyOXTPFJGEWXLOSN-UHFFFAOYSA-N
XLogP5.99
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide 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 N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 122688110) is N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)cc(-c2c[nH]c3ncc(C(=O)NC4CC4)cc23)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is OXTPFJGEWXLOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN6O3/c1-20(2)44-27-13-22(17-37-31-28(4-3-11-36-31)34(43)40-16-21-5-7-25(35)8-6-21)12-23(14-27)30-19-39-32-29(30)15-24(18-38-32)33(42)41-26-9-10-26/h3-8,11-15,18-20,26H,9-10,16-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42).
What are the key properties of N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 592.68 g/mol, XLogP of 5.99, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[[[3-[(4-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]methyl]-5-propan-2-yloxyphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 122688110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.