6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

C22H20FN5O — CID 10221920

IUPAC6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)nc2Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C22H20FN5O/c1-13(2)14-3-6-16(7-4-14)26-22(29)18-9-10-20(23)27-21(18)25-17-8-5-15-12-24-28-19(15)11-17/h3-13H,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyPXZAHCRDFBLWHB-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.22
Rot. Bonds5

About 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide

6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 10221920) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID10221920
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)nc2Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C22H20FN5O/c1-13(2)14-3-6-16(7-4-14)26-22(29)18-9-10-20(23)27-21(18)25-17-8-5-15-12-24-28-19(15)11-17/h3-13H,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyPXZAHCRDFBLWHB-UHFFFAOYSA-N
XLogP5.22
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
2-(1H-indazol-6-ylamino)-N-(4-phenylphenyl)pyridine-3-carboxamide
CID 10272638
N-(1H-indazol-6-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574300
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
2,3-difluoro-N-(1H-indazol-6-yl)pyridine-4-carboxamide
CID 105380728
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate
CID 10180144
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
N-[4-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]phenyl]-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
CID 10304079

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide (CID 10221920) is 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(F)nc2Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is PXZAHCRDFBLWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13(2)14-3-6-16(7-4-14)26-22(29)18-9-10-20(23)27-21(18)25-17-8-5-15-12-24-28-19(15)11-17/h3-13H,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide?
6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1H-indazol-6-ylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).