6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

C35H38ClN9O2 — CID 70934394

IUPAC6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cccnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1
InChIInChI=1S/C35H38ClN9O2/c1-43(29-5-3-11-38-23-29)28-8-6-27(7-9-28)41-35-40-22-26-18-30(32-31(36)19-25(21-39-32)24-4-2-10-37-20-24)34(46)45(33(26)42-35)13-12-44-14-16-47-17-15-44/h2,4,6-10,18-22,29,38H,3,5,11-17,23H2,1H3,(H,40,41,42)
InChIKeySIOKATFYSZPWEF-UHFFFAOYSA-N
MW652.20 g/mol
LogP4.83
Rot. Bonds9

About 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one

6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934394) has the molecular formula C35H38ClN9O2 and a molecular weight of 652.20 g/mol. Its IUPAC name is 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID70934394
Molecular FormulaC35H38ClN9O2
Molecular Weight652.20 g/mol
Exact Mass651.28
IUPAC Name6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cccnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1
InChIInChI=1S/C35H38ClN9O2/c1-43(29-5-3-11-38-23-29)28-8-6-27(7-9-28)41-35-40-22-26-18-30(32-31(36)19-25(21-39-32)24-4-2-10-37-20-24)34(46)45(33(26)42-35)13-12-44-14-16-47-17-15-44/h2,4,6-10,18-22,29,38H,3,5,11-17,23H2,1H3,(H,40,41,42)
InChIKeySIOKATFYSZPWEF-UHFFFAOYSA-N
XLogP4.83
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.20
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one (CID 70934394) is 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is CN(c1ccc(Nc2ncc3cc(-c4ncc(-c5cccnc5)cc4Cl)c(=O)n(CCN4CCOCC4)c3n2)cc1)C1CCCNC1.
What is the InChIKey of 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SIOKATFYSZPWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38ClN9O2/c1-43(29-5-3-11-38-23-29)28-8-6-27(7-9-28)41-35-40-22-26-18-30(32-31(36)19-25(21-39-32)24-4-2-10-37-20-24)34(46)45(33(26)42-35)13-12-44-14-16-47-17-15-44/h2,4,6-10,18-22,29,38H,3,5,11-17,23H2,1H3,(H,40,41,42).
What are the key properties of 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 652.20 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-pyridin-3-yl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).