5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

C24H22FN5O — CID 162670206

IUPAC5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C24H22FN5O/c25-23-19(4-3-11-26-23)17-7-10-21-20(14-17)22(29-28-21)24(31)27-18-8-5-16(6-9-18)15-30-12-1-2-13-30/h3-11,14H,1-2,12-13,15H2,(H,27,31)(H,28,29)
InChIKeyDBIHOHIPUMYSPB-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.61
Rot. Bonds5

About 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 162670206) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID162670206
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C24H22FN5O/c25-23-19(4-3-11-26-23)17-7-10-21-20(14-17)22(29-28-21)24(31)27-18-8-5-16(6-9-18)15-30-12-1-2-13-30/h3-11,14H,1-2,12-13,15H2,(H,27,31)(H,28,29)
InChIKeyDBIHOHIPUMYSPB-UHFFFAOYSA-N
XLogP4.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
N-[1-(3-Cyanobenzyl)-1h-Pyrazol-4-Yl]-2h-Indazole-3-Carboxamide
CID 3722581
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide
CID 130301863
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 162670206) is 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cccnc3F)cc12.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is DBIHOHIPUMYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-23-19(4-3-11-26-23)17-7-10-21-20(14-17)22(29-28-21)24(31)27-18-8-5-16(6-9-18)15-30-12-1-2-13-30/h3-11,14H,1-2,12-13,15H2,(H,27,31)(H,28,29).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 162670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).