2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide

C25H29F3N6O — CID 56671793

IUPAC2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H29F3N6O/c1-33-22-9-6-18(25(26,27)28)11-21(22)24(32-33)30-13-23(35)31-19-14-34(15-19)20-7-4-16(5-8-20)17-3-2-10-29-12-17/h2-3,6,9-12,16,19-20H,4-5,7-8,13-15H2,1H3,(H,30,32)(H,31,35)
InChIKeyDPMNRWVBWPCZHV-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.93
Rot. Bonds6

About 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide

2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide (PubChem CID 56671793) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide
PubChem CID56671793
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H29F3N6O/c1-33-22-9-6-18(25(26,27)28)11-21(22)24(32-33)30-13-23(35)31-19-14-34(15-19)20-7-4-16(5-8-20)17-3-2-10-29-12-17/h2-3,6,9-12,16,19-20H,4-5,7-8,13-15H2,1H3,(H,30,32)(H,31,35)
InChIKeyDPMNRWVBWPCZHV-UHFFFAOYSA-N
XLogP3.93
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide (CID 56671793) is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide is Cn1nc(NCC(=O)NC2CN(C3CCC(c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is DPMNRWVBWPCZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-33-22-9-6-18(25(26,27)28)11-21(22)24(32-33)30-13-23(35)31-19-14-34(15-19)20-7-4-16(5-8-20)17-3-2-10-29-12-17/h2-3,6,9-12,16,19-20H,4-5,7-8,13-15H2,1H3,(H,30,32)(H,31,35).
What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide?
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 486.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 56671793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).