N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H25F3N4O3 — CID 155437918

IUPACN-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCC(CO)CC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)22-3-1-2-18(28-22)23(33)29-20-10-15-12-31(16-6-4-14(13-32)5-7-16)30-19(15)11-21(20)34-17-8-9-17/h1-3,10-12,14,16-17,32H,4-9,13H2,(H,29,33)
InChIKeyYMGXOEWLEOPYDP-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.97
Rot. Bonds6

About N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155437918) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155437918
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCC(CO)CC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)22-3-1-2-18(28-22)23(33)29-20-10-15-12-31(16-6-4-14(13-32)5-7-16)30-19(15)11-21(20)34-17-8-9-17/h1-3,10-12,14,16-17,32H,4-9,13H2,(H,29,33)
InChIKeyYMGXOEWLEOPYDP-UHFFFAOYSA-N
XLogP4.97
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155437918) is N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCC(CO)CC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YMGXOEWLEOPYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)22-3-1-2-18(28-22)23(33)29-20-10-15-12-31(16-6-4-14(13-32)5-7-16)30-19(15)11-21(20)34-17-8-9-17/h1-3,10-12,14,16-17,32H,4-9,13H2,(H,29,33).
What are the key properties of N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclopropyloxy-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155437918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).