6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane

C90H127Cl4N19O7 — CID 158700614

About 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane

6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane (PubChem CID 158700614) has the molecular formula C90H127Cl4N19O7 and a molecular weight of 1728.94 g/mol. Its IUPAC name is 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane.

Molecular Properties

• Compound Name: 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane
• PubChem CID: 158700614
• Molecular Formula: C90H127Cl4N19O7
• Molecular Weight: 1728.94 g/mol
• Exact Mass: 1725.89
• IUPAC Name: 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane
• SMILES: C.C.C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(N4CCCCC4(C)C)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)NC[C@H]1C.CC1(C)CCCCN1.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(N3CCCCC3(C)C)nc21
• InChI: InChI=1S/C32H42ClN7O2.C23H28ClN5O2.C16H14Cl2N4O2.C9H16N2O.C7H15N.3CH4/c1-9-25(41)37-17-22(6)38(18-21(37)5)28-23-16-24(33)30(39-15-11-10-13-32(39,7)8)35-29(23)40(31(42)36-28)27-20(4)12-14-34-26(27)19(2)3;1-13(2)17-18(14(3)8-10-25-17)29-19-15(21(30)27-22(29)31)12-16(24)20(26-19)28-11-7-6-9-23(28,4)5;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(17)13(18)20-14;1-4-9(12)11-6-7(2)10-5-8(11)3;1-7(2)5-3-4-6-8-7;;;/h9,12,14,16,19,21-22H,1,10-11,13,15,17-18H2,2-8H3;8,10,12-13H,6-7,9,11H2,1-5H3,(H,27,30,31);4-7H,1-3H3,(H,21,23,24);4,7-8,10H,1,5-6H2,2-3H3;8H,3-6H2,1-2H3;3*1H4/t21-,22+;;;7-,8+;;;;/m1..0..../s1
• InChIKey: IHMPLZFRLXHGJA-COWJYPLASA-N
• XLogP: 17.00
• TPSA: 296.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.94
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane?

The IUPAC name of 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane (CID 158700614) is 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane.

What is the SMILES notation for 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane?

The canonical SMILES for 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane is C.C.C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(N4CCCCC4(C)C)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)NC[C@H]1C.CC1(C)CCCCN1.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(N3CCCCC3(C)C)nc21.

What is the InChIKey of 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane?

The InChIKey is IHMPLZFRLXHGJA-COWJYPLASA-N. The full InChI is InChI=1S/C32H42ClN7O2.C23H28ClN5O2.C16H14Cl2N4O2.C9H16N2O.C7H15N.3CH4/c1-9-25(41)37-17-22(6)38(18-21(37)5)28-23-16-24(33)30(39-15-11-10-13-32(39,7)8)35-29(23)40(31(42)36-28)27-20(4)12-14-34-26(27)19(2)3;1-13(2)17-18(14(3)8-10-25-17)29-19-15(21(30)27-22(29)31)12-16(24)20(26-19)28-11-7-6-9-23(28,4)5;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(17)13(18)20-14;1-4-9(12)11-6-7(2)10-5-8(11)3;1-7(2)5-3-4-6-8-7;;;/h9,12,14,16,19,21-22H,1,10-11,13,15,17-18H2,2-8H3;8,10,12-13H,6-7,9,11H2,1-5H3,(H,27,30,31);4-7H,1-3H3,(H,21,23,24);4,7-8,10H,1,5-6H2,2-3H3;8H,3-6H2,1-2H3;3*1H4/t21-,22+;;;7-,8+;;;;/m1..0..../s1.

What are the key properties of 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane?

6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane has a molecular weight of 1728.94 g/mol, XLogP of 17.00, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(2,2-dimethylpiperidin-1-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2,2-dimethylpiperidin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;2,2-dimethylpiperidine;methane is sourced from PubChem (CID 158700614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).