3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide

C94H110Cl4N24O5 — CID 173201711

About 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide

3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide (PubChem CID 173201711) has the molecular formula C94H110Cl4N24O5 and a molecular weight of 1797.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide
• PubChem CID: 173201711
• Molecular Formula: C94H110Cl4N24O5
• Molecular Weight: 1797.89 g/mol
• Exact Mass: 1794.78
• IUPAC Name: 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide
• SMILES: Cc1nc(N2CCC(N3CCCC3)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCCN(C)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCN(CCO)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12
• InChI: InChI=1S/C26H31ClN6O.C23H27ClN6O2.C23H27ClN6O.C22H25ClN6O/c1-18-25-22(29-26(28-18)33-16-12-21(13-17-33)32-14-2-3-15-32)9-10-23(31-25)30-24(34)11-6-19-4-7-20(27)8-5-19;1-16-22-19(26-23(25-16)30-12-10-29(11-13-30)14-15-31)7-8-20(28-22)27-21(32)9-4-17-2-5-18(24)6-3-17;1-16-22-19(26-23(25-16)30-13-3-12-29(2)14-15-30)9-10-20(28-22)27-21(31)11-6-17-4-7-18(24)8-5-17;1-15-21-18(25-22(24-15)29-13-11-28(2)12-14-29)8-9-19(27-21)26-20(30)10-5-16-3-6-17(23)7-4-16/h4-5,7-10,21H,2-3,6,11-17H2,1H3,(H,30,31,34);2-3,5-8,31H,4,9-15H2,1H3,(H,27,28,32);4-5,7-10H,3,6,11-15H2,1-2H3,(H,27,28,31);3-4,6-9H,5,10-14H2,1-2H3,(H,26,27,30)
• InChIKey: WSGYJKSITSJKCM-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 317.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.89
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide?

The IUPAC name of 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide (CID 173201711) is 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide.

What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide?

The canonical SMILES for 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide is Cc1nc(N2CCC(N3CCCC3)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCCN(C)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.Cc1nc(N2CCN(CCO)CC2)nc2ccc(NC(=O)CCc3ccc(Cl)cc3)nc12.

What is the InChIKey of 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide?

The InChIKey is WSGYJKSITSJKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O.C23H27ClN6O2.C23H27ClN6O.C22H25ClN6O/c1-18-25-22(29-26(28-18)33-16-12-21(13-17-33)32-14-2-3-15-32)9-10-23(31-25)30-24(34)11-6-19-4-7-20(27)8-5-19;1-16-22-19(26-23(25-16)30-12-10-29(11-13-30)14-15-31)7-8-20(28-22)27-21(32)9-4-17-2-5-18(24)6-3-17;1-16-22-19(26-23(25-16)30-13-3-12-29(2)14-15-30)9-10-20(28-22)27-21(31)11-6-17-4-7-18(24)8-5-17;1-15-21-18(25-22(24-15)29-13-11-28(2)12-14-29)8-9-19(27-21)26-20(30)10-5-16-3-6-17(23)7-4-16/h4-5,7-10,21H,2-3,6,11-17H2,1H3,(H,30,31,34);2-3,5-8,31H,4,9-15H2,1H3,(H,27,28,32);4-5,7-10H,3,6,11-15H2,1-2H3,(H,27,28,31);3-4,6-9H,5,10-14H2,1-2H3,(H,26,27,30).

What are the key properties of 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide?

3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide has a molecular weight of 1797.89 g/mol, XLogP of 14.30, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide;3-(4-chlorophenyl)-N-[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 173201711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).