7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

C32H28N4O5 — CID 90467831

IUPAC7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCOc1ccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc2c1
InChIInChI=1S/C32H28N4O5/c1-17-21(6-5-7-26(17)36-27(37)16-19-15-20(41-4)12-13-35(19)31(36)39)22-10-11-24(30(33)38)29-28(22)23-9-8-18(32(2,3)40)14-25(23)34-29/h5-16,34,40H,1-4H3,(H2,33,38)
InChIKeyHPPFVYVYCRLUIG-UHFFFAOYSA-N
MW548.60 g/mol
LogP4.40
Rot. Bonds5

About 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 90467831) has the molecular formula C32H28N4O5 and a molecular weight of 548.60 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
PubChem CID90467831
Molecular FormulaC32H28N4O5
Molecular Weight548.60 g/mol
Exact Mass548.21
IUPAC Name7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
SMILESCOc1ccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc2c1
InChIInChI=1S/C32H28N4O5/c1-17-21(6-5-7-26(17)36-27(37)16-19-15-20(41-4)12-13-35(19)31(36)39)22-10-11-24(30(33)38)29-28(22)23-9-8-18(32(2,3)40)14-25(23)34-29/h5-16,34,40H,1-4H3,(H2,33,38)
InChIKeyHPPFVYVYCRLUIG-UHFFFAOYSA-N
XLogP4.40
TPSA131.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.60
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 90467831) is 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is COc1ccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc2c1.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
The InChIKey is HPPFVYVYCRLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5/c1-17-21(6-5-7-26(17)36-27(37)16-19-15-20(41-4)12-13-35(19)31(36)39)22-10-11-24(30(33)38)29-28(22)23-9-8-18(32(2,3)40)14-25(23)34-29/h5-16,34,40H,1-4H3,(H2,33,38).
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?
7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 548.60 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 90467831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).