6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one

C24H25ClN6O3 — CID 144744068

IUPAC6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)ccn1
InChIInChI=1S/C24H25ClN6O3/c1-26-20-9-14(5-7-28-20)6-8-31-22-15(13-29-24(27-2)30-22)10-18(23(31)32)17-11-16(33-3)12-19(34-4)21(17)25/h5,7,9-13H,6,8H2,1-4H3,(H,26,28)(H,27,29,30)
InChIKeyPOKIWUVNWLELPI-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.85
Rot. Bonds8

About 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 144744068) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID144744068
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)ccn1
InChIInChI=1S/C24H25ClN6O3/c1-26-20-9-14(5-7-28-20)6-8-31-22-15(13-29-24(27-2)30-22)10-18(23(31)32)17-11-16(33-3)12-19(34-4)21(17)25/h5,7,9-13H,6,8H2,1-4H3,(H,26,28)(H,27,29,30)
InChIKeyPOKIWUVNWLELPI-UHFFFAOYSA-N
XLogP3.85
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]-2-cyanoacetamide
CID 91754622
N-[5-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]pyrazin-2-yl]prop-2-enamide
CID 86291934
N-[1-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]azetidin-3-yl]prop-2-enamide
CID 118296033
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-[(1-methylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86292907
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86292512
N-[4-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]acetamide
CID 163767680
N-[3-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-7-oxo-2-(2-piperidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]prop-2-enamide
CID 86294414
6-(2-chloro-3,5-dimethoxyphenyl)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 118295801
(E)-2-cyano-N-[3-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]but-2-enamide
CID 145194074
N-[6-[2-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-3-pyridinyl]prop-2-enamide
CID 86294621
tert-butyl N-[3-[2-[6-(2-chloro-3,5-dimethoxyphenyl)-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]phenyl]carbamate
CID 131747643
8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 137491292

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one (CID 144744068) is 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one is CNc1cc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)ccn1.
What is the InChIKey of 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is POKIWUVNWLELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-26-20-9-14(5-7-28-20)6-8-31-22-15(13-29-24(27-2)30-22)10-18(23(31)32)17-11-16(33-3)12-19(34-4)21(17)25/h5,7,9-13H,6,8H2,1-4H3,(H,26,28)(H,27,29,30).
What are the key properties of 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 480.96 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[2-[2-(methylamino)-4-pyridinyl]ethyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 144744068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).