cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide

About cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide

cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 58817580) has the molecular formula C25H31F3N6O and a molecular weight of 488.56 g/mol. Its IUPAC name is cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide
PubChem CID	58817580
Molecular Formula	C25H31F3N6O
Molecular Weight	488.56 g/mol
Exact Mass	488.25
IUPAC Name	cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide
SMILES	Cn1nc(C2CCN(C[C@@H]3C[C@H]3C(=O)NCCCn3ccnc3)CC2)c2cccc(C(F)(F)F)c21
InChI	InChI=1S/C25H31F3N6O/c1-32-23-19(4-2-5-21(23)25(26,27)28)22(31-32)17-6-11-33(12-7-17)15-18-14-20(18)24(35)30-8-3-10-34-13-9-29-16-34/h2,4-5,9,13,16-18,20H,3,6-8,10-12,14-15H2,1H3,(H,30,35)/t18-,20+/m0/s1
InChIKey	FZUTYDMNDNUDLQ-AZUAARDMSA-N
XLogP	3.81
TPSA	67.98 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide (CID 58817580) is cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide is Cn1nc(C2CCN(C[C@@H]3C[C@H]3C(=O)NCCCn3ccnc3)CC2)c2cccc(C(F)(F)F)c21.

What is the InChIKey of cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is FZUTYDMNDNUDLQ-AZUAARDMSA-N. The full InChI is InChI=1S/C25H31F3N6O/c1-32-23-19(4-2-5-21(23)25(26,27)28)22(31-32)17-6-11-33(12-7-17)15-18-14-20(18)24(35)30-8-3-10-34-13-9-29-16-34/h2,4-5,9,13,16-18,20H,3,6-8,10-12,14-15H2,1H3,(H,30,35)/t18-,20+/m0/s1.

What are the key properties of cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide?

cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-(3-imidazol-1-ylpropyl)-2-[[4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58817580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).