4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide

C33H25ClN4O4 — CID 149407985

About 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide

4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide (PubChem CID 149407985) has the molecular formula C33H25ClN4O4 and a molecular weight of 577.04 g/mol. Its IUPAC name is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide
• PubChem CID: 149407985
• Molecular Formula: C33H25ClN4O4
• Molecular Weight: 577.04 g/mol
• Exact Mass: 576.16
• IUPAC Name: 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide
• SMILES: Cc1c(-c2c(C#N)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O
• InChI: InChI=1S/C33H25ClN4O4/c1-17-21(6-4-8-26(17)38-28(39)15-27-25(34)7-5-11-37(27)32(38)41)29-19(16-35)14-24(31(36)40)23-13-18-12-20(33(2,3)42)9-10-22(18)30(23)29/h4-12,14-15,42H,13H2,1-3H3,(H2,36,40)
• InChIKey: YQRDIVQSBYRLQG-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 130.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.04
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide (CID 149407985) is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide.

What is the SMILES notation for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The canonical SMILES for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide is Cc1c(-c2c(C#N)cc(C(N)=O)c3c2-c2ccc(C(C)(C)O)cc2C3)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O.

What is the InChIKey of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

The InChIKey is YQRDIVQSBYRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25ClN4O4/c1-17-21(6-4-8-26(17)38-28(39)15-27-25(34)7-5-11-37(27)32(38)41)29-19(16-35)14-24(31(36)40)23-13-18-12-20(33(2,3)42)9-10-22(18)30(23)29/h4-12,14-15,42H,13H2,1-3H3,(H2,36,40).

What are the key properties of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide?

4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide has a molecular weight of 577.04 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-3-cyano-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 149407985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).