N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C30H30F3N5O2 — CID 59505308

IUPACN-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1cnccc1C(F)(F)F
InChIInChI=1S/C30H30F3N5O2/c31-30(32,33)25-7-13-35-18-24(25)27(39)36-26-4-3-20-1-2-21(17-23(20)26)28(40)38-16-10-29(19-38)8-14-37(15-9-29)22-5-11-34-12-6-22/h1-2,5-7,11-13,17-18,26H,3-4,8-10,14-16,19H2,(H,36,39)/t26-/m1/s1
InChIKeyOGIUETLNUCUSRD-AREMUKBSSA-N
MW549.60 g/mol
LogP5.05
Rot. Bonds4

About N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59505308) has the molecular formula C30H30F3N5O2 and a molecular weight of 549.60 g/mol. Its IUPAC name is N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59505308
Molecular FormulaC30H30F3N5O2
Molecular Weight549.60 g/mol
Exact Mass549.24
IUPAC NameN-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1cnccc1C(F)(F)F
InChIInChI=1S/C30H30F3N5O2/c31-30(32,33)25-7-13-35-18-24(25)27(39)36-26-4-3-20-1-2-21(17-23(20)26)28(40)38-16-10-29(19-38)8-14-37(15-9-29)22-5-11-34-12-6-22/h1-2,5-7,11-13,17-18,26H,3-4,8-10,14-16,19H2,(H,36,39)/t26-/m1/s1
InChIKeyOGIUETLNUCUSRD-AREMUKBSSA-N
XLogP5.05
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.60
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide 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 N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 59505308) is N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OGIUETLNUCUSRD-AREMUKBSSA-N. The full InChI is InChI=1S/C30H30F3N5O2/c31-30(32,33)25-7-13-35-18-24(25)27(39)36-26-4-3-20-1-2-21(17-23(20)26)28(40)38-16-10-29(19-38)8-14-37(15-9-29)22-5-11-34-12-6-22/h1-2,5-7,11-13,17-18,26H,3-4,8-10,14-16,19H2,(H,36,39)/t26-/m1/s1.
What are the key properties of N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 549.60 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59505308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).