N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide

C21H16FN5O — CID 168965218

IUPACN-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(-c2ccc(F)cc2)cc1-c1cc2cn[nH]c2cn1
InChIInChI=1S/C21H16FN5O/c1-2-21(28)25-10-15-9-23-18(13-3-5-16(22)6-4-13)8-17(15)19-7-14-11-26-27-20(14)12-24-19/h2-9,11-12H,1,10H2,(H,25,28)(H,26,27)
InChIKeyKOOTVGBQTPKPFF-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.63
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide

N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide (PubChem CID 168965218) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide
PubChem CID168965218
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC NameN-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(-c2ccc(F)cc2)cc1-c1cc2cn[nH]c2cn1
InChIInChI=1S/C21H16FN5O/c1-2-21(28)25-10-15-9-23-18(13-3-5-16(22)6-4-13)8-17(15)19-7-14-11-26-27-20(14)12-24-19/h2-9,11-12H,1,10H2,(H,25,28)(H,26,27)
InChIKeyKOOTVGBQTPKPFF-UHFFFAOYSA-N
XLogP3.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide with MolForge

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Related Compounds

6-[[3-[2-(4-fluorophenyl)-5-[(prop-2-enoylamino)methyl]-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
CID 168964965
N-[[6-(4-fluorophenyl)-4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 168965332
N-[[4-(4-fluorophenyl)-2-(1-methylpyrazol-3-yl)phenyl]methyl]prop-2-enamide
CID 169043341
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 53148242
5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 86676680
N-[(5-amino-1H-pyrazol-4-yl)methyl]prop-2-enamide
CID 79531497
N-[[4-(4-fluorophenyl)-2-[1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]methyl]prop-2-enamide
CID 168965020
N-[[2-[1-(difluoromethyl)pyrazol-3-yl]-6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 168965176
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
N,N-dimethyl-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-amine
CID 126553618
N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide
CID 168965341
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide (CID 168965218) is N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide is C=CC(=O)NCc1cnc(-c2ccc(F)cc2)cc1-c1cc2cn[nH]c2cn1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide?
The InChIKey is KOOTVGBQTPKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-2-21(28)25-10-15-9-23-18(13-3-5-16(22)6-4-13)8-17(15)19-7-14-11-26-27-20(14)12-24-19/h2-9,11-12H,1,10H2,(H,25,28)(H,26,27).
What are the key properties of N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide?
N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide has a molecular weight of 373.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-4-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 168965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).