1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

C95H101N21O6 — CID 158348808

About 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 158348808) has the molecular formula C95H101N21O6 and a molecular weight of 1632.99 g/mol. Its IUPAC name is 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158348808
• Molecular Formula: C95H101N21O6
• Molecular Weight: 1632.99 g/mol
• Exact Mass: 1631.82
• IUPAC Name: 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2ccnc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccc(O)cc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1
• InChI: InChI=1S/C25H26N4O2.C24H25N5O2.C24H25N5O.C22H25N7O/c1-2-25(31)28-13-11-27(12-14-28)23-7-9-26-22-17-29(10-8-21(22)23)24-16-19(30)15-18-5-3-4-6-20(18)24;1-2-23(31)27-10-12-28(13-11-27)24-19-8-9-29(15-21(19)25-16-26-24)22-5-3-4-17-6-7-18(30)14-20(17)22;1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22;1-3-20(30)27-8-10-28(11-9-27)22-16-6-7-29(13-19(16)23-14-24-22)21-15(2)4-5-18-17(21)12-25-26-18/h2-7,9,15-16,30H,1,8,10-14,17H2;2-7,14,16,30H,1,8-13,15H2;2-9,17H,1,10-16H2;3-5,12,14H,1,6-11,13H2,2H3,(H,25,26)
• InChIKey: GSBHCIPZTSERSH-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 266.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.99
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one (CID 158348808) is 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ccnc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccc(O)cc24)C3)CC1.C=CC(=O)N1CCN(c2ncnc3c2CCN(c2cccc4ccccc24)C3)CC1.

What is the InChIKey of 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?

The InChIKey is GSBHCIPZTSERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.C24H25N5O2.C24H25N5O.C22H25N7O/c1-2-25(31)28-13-11-27(12-14-28)23-7-9-26-22-17-29(10-8-21(22)23)24-16-19(30)15-18-5-3-4-6-20(18)24;1-2-23(31)27-10-12-28(13-11-27)24-19-8-9-29(15-21(19)25-16-26-24)22-5-3-4-17-6-7-18(30)14-20(17)22;1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22;1-3-20(30)27-8-10-28(11-9-27)22-16-6-7-29(13-19(16)23-14-24-22)21-15(2)4-5-18-17(21)12-25-26-18/h2-7,9,15-16,30H,1,8,10-14,17H2;2-7,14,16,30H,1,8-13,15H2;2-9,17H,1,10-16H2;3-5,12,14H,1,6-11,13H2,2H3,(H,25,26).

What are the key properties of 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one?

1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 1632.99 g/mol, XLogP of 11.16, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(7-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-(7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158348808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).