N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide

C34H34F2N6O2S — CID 11948276

IUPACN-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C34H34F2N6O2S/c1-19-11-12-20(37-31(44)26-10-7-15-45-26)16-23(19)28-22-13-14-27(43)42(29-24(35)8-6-9-25(29)36)30(22)40-32(39-28)38-21-17-33(2,3)41-34(4,5)18-21/h6-16,21,41H,17-18H2,1-5H3,(H,37,44)(H,38,39,40)
InChIKeyALSRBDSZLBHGPS-UHFFFAOYSA-N
MW628.75 g/mol
LogP7.07
Rot. Bonds6

About N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide

N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 11948276) has the molecular formula C34H34F2N6O2S and a molecular weight of 628.75 g/mol. Its IUPAC name is N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide
PubChem CID11948276
Molecular FormulaC34H34F2N6O2S
Molecular Weight628.75 g/mol
Exact Mass628.24
IUPAC NameN-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C34H34F2N6O2S/c1-19-11-12-20(37-31(44)26-10-7-15-45-26)16-23(19)28-22-13-14-27(43)42(29-24(35)8-6-9-25(29)36)30(22)40-32(39-28)38-21-17-33(2,3)41-34(4,5)18-21/h6-16,21,41H,17-18H2,1-5H3,(H,37,44)(H,38,39,40)
InChIKeyALSRBDSZLBHGPS-UHFFFAOYSA-N
XLogP7.07
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.75
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[8-(2,6-difluorophenyl)-2-[2-(methylamino)ethylamino]-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide
CID 11948278
3-[8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 59212685
3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzoic acid;3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 159982916
N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156297
3-[8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide;3-[8-(2,6-difluorophenyl)-7-oxo-2-[3-(propan-2-ylamino)propylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 157140525
3-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 11948281
N-benzyl-3-[8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide;3-[8-(2,6-difluorophenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzoic acid
CID 159692777
2-[[8-(2,6-difluorophenyl)-4-[5-[1-(ethylamino)ethenyl]-2-methylphenyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N,N'-dimethylethanimidamide
CID 143302972
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 59639586
N-tert-butyl-3-[2-[3-(diethylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methylbenzamide;ethane
CID 143596864
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide (CID 11948276) is N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is ALSRBDSZLBHGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F2N6O2S/c1-19-11-12-20(37-31(44)26-10-7-15-45-26)16-23(19)28-22-13-14-27(43)42(29-24(35)8-6-9-25(29)36)30(22)40-32(39-28)38-21-17-33(2,3)41-34(4,5)18-21/h6-16,21,41H,17-18H2,1-5H3,(H,37,44)(H,38,39,40).
What are the key properties of N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide?
N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 628.75 g/mol, XLogP of 7.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 11948276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).