N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

C26H32F2N4O2 — CID 76526830

IUPACN-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Oc5c(F)cccc5F)C4)CC32)ccn1
InChIInChI=1S/C26H32F2N4O2/c1-15-12-16(10-11-29-15)24-20-13-17(8-9-23(20)31-32-24)26(33)30-18-4-2-5-19(14-18)34-25-21(27)6-3-7-22(25)28/h3,6-7,10-12,17-20,23-24,31-32H,2,4-5,8-9,13-14H2,1H3,(H,30,33)
InChIKeyBVKFEAREHHNRDA-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.11
Rot. Bonds5

About N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (PubChem CID 76526830) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
PubChem CID76526830
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Oc5c(F)cccc5F)C4)CC32)ccn1
InChIInChI=1S/C26H32F2N4O2/c1-15-12-16(10-11-29-15)24-20-13-17(8-9-23(20)31-32-24)26(33)30-18-4-2-5-19(14-18)34-25-21(27)6-3-7-22(25)28/h3,6-7,10-12,17-20,23-24,31-32H,2,4-5,8-9,13-14H2,1H3,(H,30,33)
InChIKeyBVKFEAREHHNRDA-UHFFFAOYSA-N
XLogP4.11
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide with MolForge

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Related Compounds

CID 76370159
CID 76370159
CID 91970679
CID 91970679
CID 91970715
CID 91970715
CID 91970723
CID 91970723
CID 91970873
CID 91970873
CID 91970874
CID 91970874
CID 91970884
CID 91970884
CID 76524576
CID 76524576
CID 76526832
CID 76526832
CID 76526833
CID 76526833
CID 76526875
CID 76526875
CID 76526876
CID 76526876

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (CID 76526830) is N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is Cc1cc(C2NNC3CCC(C(=O)NC4CCCC(Oc5c(F)cccc5F)C4)CC32)ccn1.
What is the InChIKey of N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The InChIKey is BVKFEAREHHNRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-15-12-16(10-11-29-15)24-20-13-17(8-9-23(20)31-32-24)26(33)30-18-4-2-5-19(14-18)34-25-21(27)6-3-7-22(25)28/h3,6-7,10-12,17-20,23-24,31-32H,2,4-5,8-9,13-14H2,1H3,(H,30,33).
What are the key properties of N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenoxy)cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 76526830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).