N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C28H27FN6O — CID 86282536

IUPACN-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cccc(F)c65)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O/c1-17-12-19(10-11-30-17)26-23-14-20(8-9-25(23)33-34-26)28(36)32-22-6-2-4-18(13-22)16-35-27-21(15-31-35)5-3-7-24(27)29/h3,5,7-12,14-15,18,22H,2,4,6,13,16H2,1H3,(H,32,36)(H,33,34)
InChIKeyIJGRDBNFIRGIBQ-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.41
Rot. Bonds5

About N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 86282536) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID86282536
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC NameN-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cccc(F)c65)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O/c1-17-12-19(10-11-30-17)26-23-14-20(8-9-25(23)33-34-26)28(36)32-22-6-2-4-18(13-22)16-35-27-21(15-31-35)5-3-7-24(27)29/h3,5,7-12,14-15,18,22H,2,4,6,13,16H2,1H3,(H,32,36)(H,33,34)
InChIKeyIJGRDBNFIRGIBQ-UHFFFAOYSA-N
XLogP5.41
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 86282536) is N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6cccc(F)c65)C4)cc23)ccn1.
What is the InChIKey of N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is IJGRDBNFIRGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-17-12-19(10-11-30-17)26-23-14-20(8-9-25(23)33-34-26)28(36)32-22-6-2-4-18(13-22)16-35-27-21(15-31-35)5-3-7-24(27)29/h3,5,7-12,14-15,18,22H,2,4,6,13,16H2,1H3,(H,32,36)(H,33,34).
What are the key properties of N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-fluoroindazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 86282536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).