6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C30H34ClN7O2S — CID 153292432

IUPAC6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESC=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4nc(C)sc4C)c(Cl)cc23)C[C@H]1C
InChIInChI=1S/C30H34ClN7O2S/c1-9-23(39)36-13-18(6)37(14-17(36)5)28-21-12-22(31)26(25-19(7)41-20(8)33-25)34-29(21)38(30(40)35-28)27-16(4)10-11-32-24(27)15(2)3/h9-12,15,17-18H,1,13-14H2,2-8H3/t17-,18+/m1/s1
InChIKeyLREUMTBUBYLICO-MSOLQXFVSA-N
MW592.17 g/mol
LogP5.61
Rot. Bonds5

About 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 153292432) has the molecular formula C30H34ClN7O2S and a molecular weight of 592.17 g/mol. Its IUPAC name is 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID153292432
Molecular FormulaC30H34ClN7O2S
Molecular Weight592.17 g/mol
Exact Mass591.22
IUPAC Name6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESC=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4nc(C)sc4C)c(Cl)cc23)C[C@H]1C
InChIInChI=1S/C30H34ClN7O2S/c1-9-23(39)36-13-18(6)37(14-17(36)5)28-21-12-22(31)26(25-19(7)41-20(8)33-25)34-29(21)38(30(40)35-28)27-16(4)10-11-32-24(27)15(2)3/h9-12,15,17-18H,1,13-14H2,2-8H3/t17-,18+/m1/s1
InChIKeyLREUMTBUBYLICO-MSOLQXFVSA-N
XLogP5.61
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.17
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 153292432) is 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4nc(C)sc4C)c(Cl)cc23)C[C@H]1C.
What is the InChIKey of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is LREUMTBUBYLICO-MSOLQXFVSA-N. The full InChI is InChI=1S/C30H34ClN7O2S/c1-9-23(39)36-13-18(6)37(14-17(36)5)28-21-12-22(31)26(25-19(7)41-20(8)33-25)34-29(21)38(30(40)35-28)27-16(4)10-11-32-24(27)15(2)3/h9-12,15,17-18H,1,13-14H2,2-8H3/t17-,18+/m1/s1.
What are the key properties of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 592.17 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 153292432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).