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

C32H26ClN5O4 — CID 123275987

IUPAC4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(NC(=O)C(C)C)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O
InChIInChI=1S/C32H26ClN5O4/c1-16(2)31(41)35-18-9-10-21-24(14-18)36-29-22(30(34)40)12-11-20(28(21)29)19-6-4-8-25(17(19)3)38-27(39)15-26-23(33)7-5-13-37(26)32(38)42/h4-16,36H,1-3H3,(H2,34,40)(H,35,41)
InChIKeyBABQRWFMZVZOGR-UHFFFAOYSA-N
MW580.04 g/mol
LogP5.41
Rot. Bonds5

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

4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide (PubChem CID 123275987) has the molecular formula C32H26ClN5O4 and a molecular weight of 580.04 g/mol. Its IUPAC name is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide
PubChem CID123275987
Molecular FormulaC32H26ClN5O4
Molecular Weight580.04 g/mol
Exact Mass579.17
IUPAC Name4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(NC(=O)C(C)C)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O
InChIInChI=1S/C32H26ClN5O4/c1-16(2)31(41)35-18-9-10-21-24(14-18)36-29-22(30(34)40)12-11-20(28(21)29)19-6-4-8-25(17(19)3)38-27(39)15-26-23(33)7-5-13-37(26)32(38)42/h4-16,36H,1-3H3,(H2,34,40)(H,35,41)
InChIKeyBABQRWFMZVZOGR-UHFFFAOYSA-N
XLogP5.41
TPSA131.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.04
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide (CID 123275987) is 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(NC(=O)C(C)C)ccc4c23)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]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide?
The InChIKey is BABQRWFMZVZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClN5O4/c1-16(2)31(41)35-18-9-10-21-24(14-18)36-29-22(30(34)40)12-11-20(28(21)29)19-6-4-8-25(17(19)3)38-27(39)15-26-23(33)7-5-13-37(26)32(38)42/h4-16,36H,1-3H3,(H2,34,40)(H,35,41).
What are the key properties of 4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide?
4-[3-(5-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide has a molecular weight of 580.04 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]-7-(2-methylpropanoylamino)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 123275987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).