4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H12F2N4O — CID 67278684

IUPAC4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N4O/c16-9-3-8(4-10(17)5-9)6-20-13-11-1-2-19-15(11)21-7-12(13)14(18)22/h1-5,7H,6H2,(H2,18,22)(H2,19,20,21)
InChIKeyNNIPYAKXEUFMKN-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.55
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67278684) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67278684
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H12F2N4O/c16-9-3-8(4-10(17)5-9)6-20-13-11-1-2-19-15(11)21-7-12(13)14(18)22/h1-5,7H,6H2,(H2,18,22)(H2,19,20,21)
InChIKeyNNIPYAKXEUFMKN-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3,5-difluorophenyl)methylamino]-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

Related Compounds

4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278444
4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155032652
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291978
4-[(1,1-dioxothian-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277869
4-[[(1R,5S)-8-(4-fluorobenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792171
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
4-[[(1R,3R)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291955
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
4-[[(1R,2S,4R)-2-(hydroxymethyl)-4-phenylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291979
N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171679362

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67278684) is 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NCc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NNIPYAKXEUFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-9-3-8(4-10(17)5-9)6-20-13-11-1-2-19-15(11)21-7-12(13)14(18)22/h1-5,7H,6H2,(H2,18,22)(H2,19,20,21).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 302.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67278684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).