azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone

C23H22F3N5O — CID 58522713

IUPACazepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone
SMILESCn1nc(-c2cnc3ccc(C(F)(F)F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3
InChIKeyQJVANQWLCDXXMG-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.92
Rot. Bonds2

About azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone

azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone (PubChem CID 58522713) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone
PubChem CID58522713
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Nameazepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone
SMILESCn1nc(-c2cnc3ccc(C(F)(F)F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3
InChIKeyQJVANQWLCDXXMG-UHFFFAOYSA-N
XLogP4.92
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone?
The IUPAC name of azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone (CID 58522713) is azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone is Cn1nc(-c2cnc3ccc(C(F)(F)F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21.
What is the InChIKey of azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone?
The InChIKey is QJVANQWLCDXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3.
What are the key properties of azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone?
azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone has a molecular weight of 441.46 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone is sourced from PubChem (CID 58522713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).