5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide

C17H14FN5O — CID 142800573

IUPAC5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1cc(F)ncc1C1CC1)c1ccnc2[nH]ccc12
InChIInChI=1S/C17H14FN5O/c18-14-7-12(13(8-22-14)9-1-2-9)17(24)23-15(19)10-3-5-20-16-11(10)4-6-21-16/h3-9H,1-2H2,(H,20,21)(H2,19,23,24)
InChIKeyGRCZFXFNKMZKDJ-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.73
Rot. Bonds3

About 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide

5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide (PubChem CID 142800573) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide
PubChem CID142800573
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide
SMILES[H]/N=C(\NC(=O)c1cc(F)ncc1C1CC1)c1ccnc2[nH]ccc12
InChIInChI=1S/C17H14FN5O/c18-14-7-12(13(8-22-14)9-1-2-9)17(24)23-15(19)10-3-5-20-16-11(10)4-6-21-16/h3-9H,1-2H2,(H,20,21)(H2,19,23,24)
InChIKeyGRCZFXFNKMZKDJ-UHFFFAOYSA-N
XLogP2.73
TPSA94.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
2-cyclopentyl-4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 170775192
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739
4-(2-chlorocyclopent-2-en-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67135612
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603457
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268751
N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 20784555
N-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166321044
(4S)-6-chloro-4-methyl-1,1-dioxo-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
CID 59089477
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]propanenitrile
CID 175807836
N-[(1R,3S)-3-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 163228892

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide (CID 142800573) is 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide is [H]/N=C(\NC(=O)c1cc(F)ncc1C1CC1)c1ccnc2[nH]ccc12.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide?
The InChIKey is GRCZFXFNKMZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-14-7-12(13(8-22-14)9-1-2-9)17(24)23-15(19)10-3-5-20-16-11(10)4-6-21-16/h3-9H,1-2H2,(H,20,21)(H2,19,23,24).
What are the key properties of 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide?
5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridine-4-carboximidoyl)pyridine-4-carboxamide is sourced from PubChem (CID 142800573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).