2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide

C18H14FN7O — CID 176887235

IUPAC2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide
SMILESCc1ccc2[nH]ncc2c1-c1cc(C(=O)NN)nc(-c2cnccc2F)n1
InChIInChI=1S/C18H14FN7O/c1-9-2-3-13-11(8-22-26-13)16(9)14-6-15(18(27)25-20)24-17(23-14)10-7-21-5-4-12(10)19/h2-8H,20H2,1H3,(H,22,26)(H,25,27)
InChIKeyLRJADLGWPZFHFR-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide

2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide (PubChem CID 176887235) has the molecular formula C18H14FN7O and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide
PubChem CID176887235
Molecular FormulaC18H14FN7O
Molecular Weight363.36 g/mol
Exact Mass363.12
IUPAC Name2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide
SMILESCc1ccc2[nH]ncc2c1-c1cc(C(=O)NN)nc(-c2cnccc2F)n1
InChIInChI=1S/C18H14FN7O/c1-9-2-3-13-11(8-22-26-13)16(9)14-6-15(18(27)25-20)24-17(23-14)10-7-21-5-4-12(10)19/h2-8H,20H2,1H3,(H,22,26)(H,25,27)
InChIKeyLRJADLGWPZFHFR-UHFFFAOYSA-N
XLogP2.13
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
CID 170346575
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
5-amino-2-[2-[(1,1-dioxothietan-3-yl)amino]-5-fluorophenyl]-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346531
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-(2-propylphenyl)pyrimidine-4-carboxamide
CID 177283432
6-methyl-1H-indazole-4-carbohydrazide
CID 91582443
2-methyl-N-[6-(4-methyl-3-pyridinyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 44540399
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283677
methyl 2,4-diamino-5-(5-methyl-1H-indazol-4-yl)pyridine-3-carboxylate
CID 177042905
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
5-amino-2-[2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-3-fluoro-6-(5-methyl-1H-indazol-4-yl)pyridine-4-carboxamide
CID 170346548

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide?
The IUPAC name of 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide (CID 176887235) is 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide.
What is the SMILES notation for 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide?
The canonical SMILES for 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide is Cc1ccc2[nH]ncc2c1-c1cc(C(=O)NN)nc(-c2cnccc2F)n1.
What is the InChIKey of 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide?
The InChIKey is LRJADLGWPZFHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O/c1-9-2-3-13-11(8-22-26-13)16(9)14-6-15(18(27)25-20)24-17(23-14)10-7-21-5-4-12(10)19/h2-8H,20H2,1H3,(H,22,26)(H,25,27).
What are the key properties of 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide?
2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide has a molecular weight of 363.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide is sourced from PubChem (CID 176887235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).