(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

C32H30F3N7O — CID 119098932

IUPAC(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc5[nH]cc(C)c5c4)CC3)nc2)c1
InChIInChI=1S/C32H30F3N7O/c1-19-13-27(40-30(14-19)41-29-16-23(7-10-36-29)32(33,34)35)22-4-6-28(38-18-22)39-24-8-11-42(12-9-24)31(43)21-3-5-26-25(15-21)20(2)17-37-26/h3-7,10,13-18,24,37H,8-9,11-12H2,1-2H3,(H,38,39)(H,36,40,41)
InChIKeyRSOGAGRRXXEQTE-UHFFFAOYSA-N
MW585.63 g/mol
LogP7.12
Rot. Bonds6

About (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone

(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 119098932) has the molecular formula C32H30F3N7O and a molecular weight of 585.63 g/mol. Its IUPAC name is (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID119098932
Molecular FormulaC32H30F3N7O
Molecular Weight585.63 g/mol
Exact Mass585.25
IUPAC Name(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc5[nH]cc(C)c5c4)CC3)nc2)c1
InChIInChI=1S/C32H30F3N7O/c1-19-13-27(40-30(14-19)41-29-16-23(7-10-36-29)32(33,34)35)22-4-6-28(38-18-22)39-24-8-11-42(12-9-24)31(43)21-3-5-26-25(15-21)20(2)17-37-26/h3-7,10,13-18,24,37H,8-9,11-12H2,1-2H3,(H,38,39)(H,36,40,41)
InChIKeyRSOGAGRRXXEQTE-UHFFFAOYSA-N
XLogP7.12
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.63
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 119098932) is (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4ccc5[nH]cc(C)c5c4)CC3)nc2)c1.
What is the InChIKey of (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is RSOGAGRRXXEQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O/c1-19-13-27(40-30(14-19)41-29-16-23(7-10-36-29)32(33,34)35)22-4-6-28(38-18-22)39-24-8-11-42(12-9-24)31(43)21-3-5-26-25(15-21)20(2)17-37-26/h3-7,10,13-18,24,37H,8-9,11-12H2,1-2H3,(H,38,39)(H,36,40,41).
What are the key properties of (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone?
(3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 585.63 g/mol, XLogP of 7.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-indol-5-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119098932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).