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

C28H27FN6O — CID 67984966

IUPACN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6cc(F)ccc6n5)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O/c1-17-11-19(9-10-30-17)27-24-14-20(5-7-26(24)32-33-27)28(36)31-23-4-2-3-18(12-23)15-35-16-21-13-22(29)6-8-25(21)34-35/h5-11,13-14,16,18,23H,2-4,12,15H2,1H3,(H,31,36)(H,32,33)
InChIKeyAPWFEUVLZMMXAE-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.41
Rot. Bonds5

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

N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 67984966) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID67984966
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC NameN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6cc(F)ccc6n5)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O/c1-17-11-19(9-10-30-17)27-24-14-20(5-7-26(24)32-33-27)28(36)31-23-4-2-3-18(12-23)15-35-16-21-13-22(29)6-8-25(21)34-35/h5-11,13-14,16,18,23H,2-4,12,15H2,1H3,(H,31,36)(H,32,33)
InChIKeyAPWFEUVLZMMXAE-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-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 67984966) is N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5cc6cc(F)ccc6n5)C4)cc23)ccn1.
What is the InChIKey of N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is APWFEUVLZMMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-17-11-19(9-10-30-17)27-24-14-20(5-7-26(24)32-33-27)28(36)31-23-4-2-3-18(12-23)15-35-16-21-13-22(29)6-8-25(21)34-35/h5-11,13-14,16,18,23H,2-4,12,15H2,1H3,(H,31,36)(H,32,33).
What are the key properties of N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-[(5-fluoroindazol-2-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-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).