4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide

C23H22FN5O — CID 59936510

IUPAC4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21
InChIInChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30)
InChIKeyKKSMEMXHAAHCQN-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.12
Rot. Bonds6

About 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide

4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide (PubChem CID 59936510) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
PubChem CID59936510
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide
SMILESCn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21
InChIInChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30)
InChIKeyKKSMEMXHAAHCQN-UHFFFAOYSA-N
XLogP4.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide 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

2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
(4S)-4-amino-5-[[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-oxopentanoic acid
CID 12968345
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 23000446
(2R)-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methylpentanamide
CID 59084347
methyl 5-amino-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988420
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-hydroxyphenyl)acetamide
CID 18674103
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 25101367

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide (CID 59936510) is 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide is Cn1c(-c2ccc(F)cc2)c(-c2ccncc2)c2ccc(NC(=O)CCCN)nc21.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
The InChIKey is KKSMEMXHAAHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-29-22(16-4-6-17(24)7-5-16)21(15-10-13-26-14-11-15)18-8-9-19(28-23(18)29)27-20(30)3-2-12-25/h4-11,13-14H,2-3,12,25H2,1H3,(H,27,28,30).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide?
4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide has a molecular weight of 403.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrolo[2,3-b]pyridin-6-yl]butanamide is sourced from PubChem (CID 59936510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).