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

C28H35FN6O — CID 77391830

IUPACN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Cn5cc6cc(F)ccc6n5)C4)CC32)ccn1
InChIInChI=1S/C28H35FN6O/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/h6,8-11,13,16,18,20,23-24,26-27,32-33H,2-5,7,12,14-15H2,1H3,(H,31,36)
InChIKeyCZIRSOSWDLGKHQ-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.19
Rot. Bonds5

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

N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (PubChem CID 77391830) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
PubChem CID77391830
Molecular FormulaC28H35FN6O
Molecular Weight490.63 g/mol
Exact Mass490.29
IUPAC NameN-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Cn5cc6cc(F)ccc6n5)C4)CC32)ccn1
InChIInChI=1S/C28H35FN6O/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/h6,8-11,13,16,18,20,23-24,26-27,32-33H,2-5,7,12,14-15H2,1H3,(H,31,36)
InChIKeyCZIRSOSWDLGKHQ-UHFFFAOYSA-N
XLogP4.19
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[(5-fluoroindazol-2-yl)methyl]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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-fluoroindazol-2-yl)methyl]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-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (CID 77391830) is N-[3-[(5-fluoroindazol-2-yl)methyl]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-[(5-fluoroindazol-2-yl)methyl]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-[(5-fluoroindazol-2-yl)methyl]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(Cn5cc6cc(F)ccc6n5)C4)CC32)ccn1.
What is the InChIKey of N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The InChIKey is CZIRSOSWDLGKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O/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/h6,8-11,13,16,18,20,23-24,26-27,32-33H,2-5,7,12,14-15H2,1H3,(H,31,36).
What are the key properties of N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
N-[3-[(5-fluoroindazol-2-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 77391830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).