8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

C111H108Cl4N22O8 — CID 158081304

IUPAC8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCN(C)C(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1
InChIInChI=1S/C31H28ClN5O2.C27H27ClN6O2.C27H28ClN5O2.C26H25ClN6O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-4-34-25-18(15-30-27(32-25)31-19-9-11-33(3)23(35)14-19)12-21(26(34)36)20-8-7-17(13-22(20)28)24-16(2)6-5-10-29-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);5-8,10,12-13,15,19H,4,9,11,14H2,1-3H3,(H,30,31,32);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32)
InChIKeyFMZGSHRWHSXENP-UHFFFAOYSA-N
MW2020.04 g/mol
LogP20.33
Rot. Bonds21

About 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158081304) has the molecular formula C111H108Cl4N22O8 and a molecular weight of 2020.04 g/mol. Its IUPAC name is 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158081304
Molecular FormulaC111H108Cl4N22O8
Molecular Weight2020.04 g/mol
Exact Mass2016.75
IUPAC Name8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCN(C)C(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1
InChIInChI=1S/C31H28ClN5O2.C27H27ClN6O2.C27H28ClN5O2.C26H25ClN6O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-4-34-25-18(15-30-27(32-25)31-19-9-11-33(3)23(35)14-19)12-21(26(34)36)20-8-7-17(13-22(20)28)24-16(2)6-5-10-29-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);5-8,10,12-13,15,19H,4,9,11,14H2,1-3H3,(H,30,31,32);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32)
InChIKeyFMZGSHRWHSXENP-UHFFFAOYSA-N
XLogP20.33
TPSA358.67 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.04
LogP ≤ 520.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(methylamino)-8-[[(2R)-morpholin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 90467771
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 53353762
[2-Chloro-4-[6-ethyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 53354352
[2-Chloro-4-[6-ethyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]phenyl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 53354353
8-(4-Azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 169408423
6-[2-Chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(3-methoxypropyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 177381181
6-[2-Chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-(4-methoxybutyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 177381182
6-[2-Chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)-8-(2-piperidin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 177381189
8-(4-Aminobutyl)-2-[3-(4-aminophenyl)propylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 177381191
8-(4-Aminobutyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(3-piperazin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 177381193
8-(4-Aminobutyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[4-(3-hydroxypropyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 177381194
6-(2-Chloro-4-pyrimidin-4-ylphenyl)-2-(oxan-4-ylamino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 71557243

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 158081304) is 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCN(C)C(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCNC(=O)C3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(NC3CCOC(C)C3)nc21.Cc1cccc(-c2ccc(-c3cc4cnc(NC5CCOCC5)nc4n(Cc4ccccc4)c3=O)c(Cl)c2)n1.
What is the InChIKey of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FMZGSHRWHSXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN5O2.C27H27ClN6O2.C27H28ClN5O2.C26H25ClN6O2/c1-20-6-5-9-28(34-20)22-10-11-25(27(32)17-22)26-16-23-18-33-31(35-24-12-14-39-15-13-24)36-29(23)37(30(26)38)19-21-7-3-2-4-8-21;1-4-34-25-18(15-30-27(32-25)31-19-9-11-33(3)23(35)14-19)12-21(26(34)36)20-8-7-17(13-22(20)28)24-16(2)6-5-10-29-24;1-4-33-25-19(15-30-27(32-25)31-20-9-11-35-17(3)12-20)13-22(26(33)34)21-8-7-18(14-23(21)28)24-16(2)6-5-10-29-24;1-3-33-24-17(14-30-26(32-24)31-18-8-10-28-22(34)13-18)11-20(25(33)35)19-7-6-16(12-21(19)27)23-15(2)5-4-9-29-23/h2-11,16-18,24H,12-15,19H2,1H3,(H,33,35,36);5-8,10,12-13,15,19H,4,9,11,14H2,1-3H3,(H,30,31,32);5-8,10,13-15,17,20H,4,9,11-12H2,1-3H3,(H,30,31,32);4-7,9,11-12,14,18H,3,8,10,13H2,1-2H3,(H,28,34)(H,30,31,32).
What are the key properties of 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2020.04 g/mol, XLogP of 20.33, 21 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-methyloxan-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[(2-oxopiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158081304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).