7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C36H34F3N9O2 — CID 135237114

IUPAC7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(-c8ccnc(C(F)(F)F)c8)c7c6)C5=O)C4)CC3)cc2)nn1
InChIInChI=1S/C36H34F3N9O2/c1-45-20-30(42-44-45)25-4-2-23(3-5-25)24-9-14-47(15-10-24)32(49)21-46-16-11-35(22-46)12-17-48(34(35)50)27-6-7-29-28(19-27)33(43-41-29)26-8-13-40-31(18-26)36(37,38)39/h2-9,13,18-20H,10-12,14-17,21-22H2,1H3,(H,41,43)
InChIKeyJFJUYOXEUNNIEP-UHFFFAOYSA-N
MW681.72 g/mol
LogP5.18
Rot. Bonds6

About 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 135237114) has the molecular formula C36H34F3N9O2 and a molecular weight of 681.72 g/mol. Its IUPAC name is 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID135237114
Molecular FormulaC36H34F3N9O2
Molecular Weight681.72 g/mol
Exact Mass681.28
IUPAC Name7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1cc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(-c8ccnc(C(F)(F)F)c8)c7c6)C5=O)C4)CC3)cc2)nn1
InChIInChI=1S/C36H34F3N9O2/c1-45-20-30(42-44-45)25-4-2-23(3-5-25)24-9-14-47(15-10-24)32(49)21-46-16-11-35(22-46)12-17-48(34(35)50)27-6-7-29-28(19-27)33(43-41-29)26-8-13-40-31(18-26)36(37,38)39/h2-9,13,18-20H,10-12,14-17,21-22H2,1H3,(H,41,43)
InChIKeyJFJUYOXEUNNIEP-UHFFFAOYSA-N
XLogP5.18
TPSA116.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.72
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 135237114) is 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is Cn1cc(-c2ccc(C3=CCN(C(=O)CN4CCC5(CCN(c6ccc7[nH]nc(-c8ccnc(C(F)(F)F)c8)c7c6)C5=O)C4)CC3)cc2)nn1.
What is the InChIKey of 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is JFJUYOXEUNNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F3N9O2/c1-45-20-30(42-44-45)25-4-2-23(3-5-25)24-9-14-47(15-10-24)32(49)21-46-16-11-35(22-46)12-17-48(34(35)50)27-6-7-29-28(19-27)33(43-41-29)26-8-13-40-31(18-26)36(37,38)39/h2-9,13,18-20H,10-12,14-17,21-22H2,1H3,(H,41,43).
What are the key properties of 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 681.72 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 135237114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).