2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide

C30H30ClFN4O3 — CID 59505370

IUPAC2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOc2c(F)cc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl
InChIInChI=1S/C30H30ClFN4O3/c31-24-4-2-1-3-22(24)28(37)34-26-7-16-39-27-23(26)17-20(18-25(27)32)29(38)36-15-10-30(19-36)8-13-35(14-9-30)21-5-11-33-12-6-21/h1-6,11-12,17-18,26H,7-10,13-16,19H2,(H,34,37)/t26-/m1/s1
InChIKeyQISUNNWSINMTAZ-AREMUKBSSA-N
MW549.05 g/mol
LogP5.26
Rot. Bonds4

About 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide

2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide (PubChem CID 59505370) has the molecular formula C30H30ClFN4O3 and a molecular weight of 549.05 g/mol. Its IUPAC name is 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
PubChem CID59505370
Molecular FormulaC30H30ClFN4O3
Molecular Weight549.05 g/mol
Exact Mass548.20
IUPAC Name2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOc2c(F)cc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl
InChIInChI=1S/C30H30ClFN4O3/c31-24-4-2-1-3-22(24)28(37)34-26-7-16-39-27-23(26)17-20(18-25(27)32)29(38)36-15-10-30(19-36)8-13-35(14-9-30)21-5-11-33-12-6-21/h1-6,11-12,17-18,26H,7-10,13-16,19H2,(H,34,37)/t26-/m1/s1
InChIKeyQISUNNWSINMTAZ-AREMUKBSSA-N
XLogP5.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.05
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide 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 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide (CID 59505370) is 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide is O=C(N[C@@H]1CCOc2c(F)cc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
The InChIKey is QISUNNWSINMTAZ-AREMUKBSSA-N. The full InChI is InChI=1S/C30H30ClFN4O3/c31-24-4-2-1-3-22(24)28(37)34-26-7-16-39-27-23(26)17-20(18-25(27)32)29(38)36-15-10-30(19-36)8-13-35(14-9-30)21-5-11-33-12-6-21/h1-6,11-12,17-18,26H,7-10,13-16,19H2,(H,34,37)/t26-/m1/s1.
What are the key properties of 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide?
2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide has a molecular weight of 549.05 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4R)-8-fluoro-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-3,4-dihydro-2H-chromen-4-yl]benzamide is sourced from PubChem (CID 59505370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).