N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C31H38ClN7O2S2 — CID 164743847

IUPACN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2
InChIInChI=1S/C31H38ClN7O2S2/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34)/t26-,43?/m1/s1
InChIKeyFYKYGHCOEJLAHQ-GUCNAEIESA-N
MW640.28 g/mol
LogP6.07
Rot. Bonds6

About N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 164743847) has the molecular formula C31H38ClN7O2S2 and a molecular weight of 640.28 g/mol. Its IUPAC name is N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID164743847
Molecular FormulaC31H38ClN7O2S2
Molecular Weight640.28 g/mol
Exact Mass639.22
IUPAC NameN-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2
InChIInChI=1S/C31H38ClN7O2S2/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34)/t26-,43?/m1/s1
InChIKeyFYKYGHCOEJLAHQ-GUCNAEIESA-N
XLogP6.07
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.28
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide 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-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 164743847) is N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is COc1ccc2c(c1)[C@@H](NS(=O)C(C)(C)C)C1(CCN(c3nc(C)c(Sc4ccnc(N)c4Cl)c4nc(C)cn34)CC1)C2.
What is the InChIKey of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is FYKYGHCOEJLAHQ-GUCNAEIESA-N. The full InChI is InChI=1S/C31H38ClN7O2S2/c1-18-17-39-28(35-18)25(42-23-9-12-34-27(33)24(23)32)19(2)36-29(39)38-13-10-31(11-14-38)16-20-7-8-21(41-6)15-22(20)26(31)37-43(40)30(3,4)5/h7-9,12,15,17,26,37H,10-11,13-14,16H2,1-6H3,(H2,33,34)/t26-,43?/m1/s1.
What are the key properties of N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 640.28 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,7-dimethylimidazo[1,2-c]pyrimidin-5-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 164743847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).