6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

C34H41N7O2 — CID 90212988

IUPAC6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(c2ccccc2-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C3CCOC3)c2=O)CC1
InChIInChI=1S/C34H41N7O2/c1-39-15-11-23(12-16-39)29-5-3-4-6-30(29)31-19-24-20-35-34(38-32(24)41(33(31)42)28-14-18-43-22-28)37-26-9-7-25(8-10-26)36-27-13-17-40(2)21-27/h3-10,19-20,23,27-28,36H,11-18,21-22H2,1-2H3,(H,35,37,38)
InChIKeyUGZJBLJUIQCDER-UHFFFAOYSA-N
MW579.75 g/mol
LogP5.09
Rot. Bonds7

About 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90212988) has the molecular formula C34H41N7O2 and a molecular weight of 579.75 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90212988
Molecular FormulaC34H41N7O2
Molecular Weight579.75 g/mol
Exact Mass579.33
IUPAC Name6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCC(c2ccccc2-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C3CCOC3)c2=O)CC1
InChIInChI=1S/C34H41N7O2/c1-39-15-11-23(12-16-39)29-5-3-4-6-30(29)31-19-24-20-35-34(38-32(24)41(33(31)42)28-14-18-43-22-28)37-26-9-7-25(8-10-26)36-27-13-17-40(2)21-27/h3-10,19-20,23,27-28,36H,11-18,21-22H2,1-2H3,(H,35,37,38)
InChIKeyUGZJBLJUIQCDER-UHFFFAOYSA-N
XLogP5.09
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.75
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934373
2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-(1,3-oxazol-4-yl)pyrimidin-5-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210813
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 68739676
6-[5-(4-ethylcyclohexyl)-3-methyl-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934333
6-[2-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934341
6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 54760180
2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90213071
6-[4-(1-methylimidazol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210684
6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 90210733
6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-(1-methylpiperidin-4-yl)-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 71559274
2-[4-[2-(dimethylamino)ethoxy]anilino]-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232510
8-cyclopentyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458581

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 90212988) is 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(c2ccccc2-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C3CCOC3)c2=O)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UGZJBLJUIQCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O2/c1-39-15-11-23(12-16-39)29-5-3-4-6-30(29)31-19-24-20-35-34(38-32(24)41(33(31)42)28-14-18-43-22-28)37-26-9-7-25(8-10-26)36-27-13-17-40(2)21-27/h3-10,19-20,23,27-28,36H,11-18,21-22H2,1-2H3,(H,35,37,38).
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one?
6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 579.75 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)phenyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90212988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).