2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide

C26H25F3N6O3 — CID 86762989

IUPAC2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide
SMILESCn1cc(-c2cc3c(N4CCC[C@@H](NC(=O)c5ccc(OC(F)(F)F)cc5)C4)ccc(C(N)=O)c3[nH]2)cn1
InChIInChI=1S/C26H25F3N6O3/c1-34-13-16(12-31-34)21-11-20-22(9-8-19(24(30)36)23(20)33-21)35-10-2-3-17(14-35)32-25(37)15-4-6-18(7-5-15)38-26(27,28)29/h4-9,11-13,17,33H,2-3,10,14H2,1H3,(H2,30,36)(H,32,37)/t17-/m1/s1
InChIKeyCNKOAUCEOSHPNA-QGZVFWFLSA-N
MW526.52 g/mol
LogP3.96
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide

2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide (PubChem CID 86762989) has the molecular formula C26H25F3N6O3 and a molecular weight of 526.52 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide
PubChem CID86762989
Molecular FormulaC26H25F3N6O3
Molecular Weight526.52 g/mol
Exact Mass526.19
IUPAC Name2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide
SMILESCn1cc(-c2cc3c(N4CCC[C@@H](NC(=O)c5ccc(OC(F)(F)F)cc5)C4)ccc(C(N)=O)c3[nH]2)cn1
InChIInChI=1S/C26H25F3N6O3/c1-34-13-16(12-31-34)21-11-20-22(9-8-19(24(30)36)23(20)33-21)35-10-2-3-17(14-35)32-25(37)15-4-6-18(7-5-15)38-26(27,28)29/h4-9,11-13,17,33H,2-3,10,14H2,1H3,(H2,30,36)(H,32,37)/t17-/m1/s1
InChIKeyCNKOAUCEOSHPNA-QGZVFWFLSA-N
XLogP3.96
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide (CID 86762989) is 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide is Cn1cc(-c2cc3c(N4CCC[C@@H](NC(=O)c5ccc(OC(F)(F)F)cc5)C4)ccc(C(N)=O)c3[nH]2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide?
The InChIKey is CNKOAUCEOSHPNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25F3N6O3/c1-34-13-16(12-31-34)21-11-20-22(9-8-19(24(30)36)23(20)33-21)35-10-2-3-17(14-35)32-25(37)15-4-6-18(7-5-15)38-26(27,28)29/h4-9,11-13,17,33H,2-3,10,14H2,1H3,(H2,30,36)(H,32,37)/t17-/m1/s1.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide?
2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide has a molecular weight of 526.52 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-[(3R)-3-[[4-(trifluoromethoxy)benzoyl]amino]piperidin-1-yl]-1H-indole-7-carboxamide is sourced from PubChem (CID 86762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).