N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

C19H18FN5O2 — CID 154801629

IUPACN-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC1CN(C(=O)c2ccccc2F)CC1NC(=O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C19H18FN5O2/c1-11-8-25(19(27)12-4-2-3-5-13(12)20)9-16(11)24-18(26)15-7-6-14-17(23-15)22-10-21-14/h2-7,10-11,16H,8-9H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyBZLBDYFPQLZNIW-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 154801629) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID154801629
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC1CN(C(=O)c2ccccc2F)CC1NC(=O)c1ccc2[nH]cnc2n1
InChIInChI=1S/C19H18FN5O2/c1-11-8-25(19(27)12-4-2-3-5-13(12)20)9-16(11)24-18(26)15-7-6-14-17(23-15)22-10-21-14/h2-7,10-11,16H,8-9H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyBZLBDYFPQLZNIW-UHFFFAOYSA-N
XLogP1.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide with MolForge

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Related Compounds

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 97254888
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide
CID 175918450
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 124514443
2-ethyl-3-fluoro-N-[(3R,4R)-4-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 167793237
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
(3S,4S)-1-(6-fluoro-1H-benzimidazole-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953397
1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 154801629) is N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is CC1CN(C(=O)c2ccccc2F)CC1NC(=O)c1ccc2[nH]cnc2n1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is BZLBDYFPQLZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-8-25(19(27)12-4-2-3-5-13(12)20)9-16(11)24-18(26)15-7-6-14-17(23-15)22-10-21-14/h2-7,10-11,16H,8-9H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 154801629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).