(1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide

C32H29ClN4O4 — CID 131977980

About (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide

(1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide (PubChem CID 131977980) has the molecular formula C32H29ClN4O4 and a molecular weight of 569.06 g/mol. Its IUPAC name is (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide
• PubChem CID: 131977980
• Molecular Formula: C32H29ClN4O4
• Molecular Weight: 569.06 g/mol
• Exact Mass: 568.19
• IUPAC Name: (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide
• SMILES: CC1=C(c2cccc(-n3c(=O)cc4c(Cl)cccn4c3=O)c2C)c2c([nH]c3cc(C(C)(C)O)ccc23)[C@@H](C(N)=O)C1
• InChI: InChI=1S/C32H29ClN4O4/c1-16-13-21(30(34)39)29-28(20-11-10-18(32(3,4)41)14-23(20)35-29)27(16)19-7-5-9-24(17(19)2)37-26(38)15-25-22(33)8-6-12-36(25)31(37)40/h5-12,14-15,21,35,41H,13H2,1-4H3,(H2,34,39)/t21-/m0/s1
• InChIKey: CJKYBOFIPNUNMH-NRFANRHFSA-N
• XLogP: 4.92
• TPSA: 122.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.06
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide (CID 131977980) is (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide.

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

The canonical SMILES for (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide is CC1=C(c2cccc(-n3c(=O)cc4c(Cl)cccn4c3=O)c2C)c2c([nH]c3cc(C(C)(C)O)ccc23)[C@@H](C(N)=O)C1.

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

The InChIKey is CJKYBOFIPNUNMH-NRFANRHFSA-N. The full InChI is InChI=1S/C32H29ClN4O4/c1-16-13-21(30(34)39)29-28(20-11-10-18(32(3,4)41)14-23(20)35-29)27(16)19-7-5-9-24(17(19)2)37-26(38)15-25-22(33)8-6-12-36(25)31(37)40/h5-12,14-15,21,35,41H,13H2,1-4H3,(H2,34,39)/t21-/m0/s1.

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

(1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide has a molecular weight of 569.06 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-2,9-dihydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 131977980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).