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

C28H27FN6O2 — CID 67985835

IUPACN-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(Cn5ncc6cccc(F)c65)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O2/c1-17-12-18(9-11-30-17)25-22-13-19(7-8-24(22)33-34-25)27(36)32-21-5-3-10-28(37,14-21)16-35-26-20(15-31-35)4-2-6-23(26)29/h2,4,6-9,11-13,15,21,37H,3,5,10,14,16H2,1H3,(H,32,36)(H,33,34)
InChIKeyQVRLISZJVFWJNO-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.53
Rot. Bonds5

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

N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 67985835) has the molecular formula C28H27FN6O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID67985835
Molecular FormulaC28H27FN6O2
Molecular Weight498.56 g/mol
Exact Mass498.22
IUPAC NameN-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(Cn5ncc6cccc(F)c65)C4)cc23)ccn1
InChIInChI=1S/C28H27FN6O2/c1-17-12-18(9-11-30-17)25-22-13-19(7-8-24(22)33-34-25)27(36)32-21-5-3-10-28(37,14-21)16-35-26-20(15-31-35)4-2-6-23(26)29/h2,4,6-9,11-13,15,21,37H,3,5,10,14,16H2,1H3,(H,32,36)(H,33,34)
InChIKeyQVRLISZJVFWJNO-UHFFFAOYSA-N
XLogP4.53
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 67985835) is N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(O)(Cn5ncc6cccc(F)c65)C4)cc23)ccn1.
What is the InChIKey of N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is QVRLISZJVFWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O2/c1-17-12-18(9-11-30-17)25-22-13-19(7-8-24(22)33-34-25)27(36)32-21-5-3-10-28(37,14-21)16-35-26-20(15-31-35)4-2-6-23(26)29/h2,4,6-9,11-13,15,21,37H,3,5,10,14,16H2,1H3,(H,32,36)(H,33,34).
What are the key properties of N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67985835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).