6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone

C106H119ClN18O14 — CID 159496298

About 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone

6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone (PubChem CID 159496298) has the molecular formula C106H119ClN18O14 and a molecular weight of 1904.68 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone
• PubChem CID: 159496298
• Molecular Formula: C106H119ClN18O14
• Molecular Weight: 1904.68 g/mol
• Exact Mass: 1902.88
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)CO)cc3)C4)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)COC5CCCCO5)cc3)C4)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCNC4)nc2n(C2CCCC2)c1=O.O=C(COC1CCCCO1)c1ccc(CCl)cc1
• InChI: InChI=1S/C37H42N6O5.C32H34N6O4.C23H26N6O2.C14H17ClO3/c1-23-29-19-38-37(41-35(29)43(28-7-3-4-8-28)36(46)34(23)24(2)44)40-32-15-14-27-21-42(17-16-30(27)39-32)20-25-10-12-26(13-11-25)31(45)22-48-33-9-5-6-18-47-33;1-19-25-15-33-32(36-30(25)38(24-5-3-4-6-24)31(42)29(19)20(2)40)35-28-12-11-23-17-37(14-13-26(23)34-28)16-21-7-9-22(10-8-21)27(41)18-39;1-13-17-12-25-23(27-19-8-7-15-11-24-10-9-18(15)26-19)28-21(17)29(16-5-3-4-6-16)22(31)20(13)14(2)30;15-9-11-4-6-12(7-5-11)13(16)10-18-14-3-1-2-8-17-14/h10-15,19,28,33H,3-9,16-18,20-22H2,1-2H3,(H,38,39,40,41);7-12,15,24,39H,3-6,13-14,16-18H2,1-2H3,(H,33,34,35,36);7-8,12,16,24H,3-6,9-11H2,1-2H3,(H,25,26,27,28);4-7,14H,1-3,8-10H2
• InChIKey: LYVCEYXZUADALJ-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 396.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.68
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone?

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone (CID 159496298) is 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone?

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone is CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)CO)cc3)C4)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)COC5CCCCO5)cc3)C4)nc2n(C2CCCC2)c1=O.CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCNC4)nc2n(C2CCCC2)c1=O.O=C(COC1CCCCO1)c1ccc(CCl)cc1.

What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone?

The InChIKey is LYVCEYXZUADALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N6O5.C32H34N6O4.C23H26N6O2.C14H17ClO3/c1-23-29-19-38-37(41-35(29)43(28-7-3-4-8-28)36(46)34(23)24(2)44)40-32-15-14-27-21-42(17-16-30(27)39-32)20-25-10-12-26(13-11-25)31(45)22-48-33-9-5-6-18-47-33;1-19-25-15-33-32(36-30(25)38(24-5-3-4-6-24)31(42)29(19)20(2)40)35-28-12-11-23-17-37(14-13-26(23)34-28)16-21-7-9-22(10-8-21)27(41)18-39;1-13-17-12-25-23(27-19-8-7-15-11-24-10-9-18(15)26-19)28-21(17)29(16-5-3-4-6-16)22(31)20(13)14(2)30;15-9-11-4-6-12(7-5-11)13(16)10-18-14-3-1-2-8-17-14/h10-15,19,28,33H,3-9,16-18,20-22H2,1-2H3,(H,38,39,40,41);7-12,15,24,39H,3-6,13-14,16-18H2,1-2H3,(H,33,34,35,36);7-8,12,16,24H,3-6,9-11H2,1-2H3,(H,25,26,27,28);4-7,14H,1-3,8-10H2.

What are the key properties of 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone?

6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone has a molecular weight of 1904.68 g/mol, XLogP of 16.48, 27 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-2-[[6-[[4-(2-hydroxyacetyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-[[6-[[4-[2-(oxan-2-yloxy)acetyl]phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-acetyl-8-cyclopentyl-5-methyl-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;1-[4-(chloromethyl)phenyl]-2-(oxan-2-yloxy)ethanone is sourced from PubChem (CID 159496298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).