N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

C25H29F3N6O — CID 56675205

IUPACN-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCc1ccc(C2CCC(N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1
InChIInChI=1S/C25H29F3N6O/c1-15-2-3-17(11-29-15)16-4-7-20(8-5-16)34-13-19(14-34)31-23(35)12-30-24-21-10-18(25(26,27)28)6-9-22(21)32-33-24/h2-3,6,9-11,16,19-20H,4-5,7-8,12-14H2,1H3,(H,31,35)(H2,30,32,33)
InChIKeySTKWJCBTZQGCNO-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.22
Rot. Bonds6

About N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide

N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (PubChem CID 56675205) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
PubChem CID56675205
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC NameN-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
SMILESCc1ccc(C2CCC(N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1
InChIInChI=1S/C25H29F3N6O/c1-15-2-3-17(11-29-15)16-4-7-20(8-5-16)34-13-19(14-34)31-23(35)12-30-24-21-10-18(25(26,27)28)6-9-22(21)32-33-24/h2-3,6,9-11,16,19-20H,4-5,7-8,12-14H2,1H3,(H,31,35)(H2,30,32,33)
InChIKeySTKWJCBTZQGCNO-UHFFFAOYSA-N
XLogP4.22
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide (CID 56675205) is N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is Cc1ccc(C2CCC(N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1.
What is the InChIKey of N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
The InChIKey is STKWJCBTZQGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-15-2-3-17(11-29-15)16-4-7-20(8-5-16)34-13-19(14-34)31-23(35)12-30-24-21-10-18(25(26,27)28)6-9-22(21)32-33-24/h2-3,6,9-11,16,19-20H,4-5,7-8,12-14H2,1H3,(H,31,35)(H2,30,32,33).
What are the key properties of N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide?
N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide has a molecular weight of 486.54 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide is sourced from PubChem (CID 56675205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).