5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C29H20N6O3 — CID 174554769

IUPAC5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]c(C=C2C(C(=O)C3=Nc4ccccc4C3=Cc3cc(C(N)=O)c[nH]3)=Nc3ccccc32)c1
InChIInChI=1S/C29H20N6O3/c30-28(37)15-9-17(32-13-15)11-21-19-5-1-3-7-23(19)34-25(21)27(36)26-22(20-6-2-4-8-24(20)35-26)12-18-10-16(14-33-18)29(31)38/h1-14,32-33H,(H2,30,37)(H2,31,38)
InChIKeyWZQORIXBWJXKIC-UHFFFAOYSA-N
MW500.52 g/mol
LogP4.06
Rot. Bonds6

About 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 174554769) has the molecular formula C29H20N6O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID174554769
Molecular FormulaC29H20N6O3
Molecular Weight500.52 g/mol
Exact Mass500.16
IUPAC Name5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c[nH]c(C=C2C(C(=O)C3=Nc4ccccc4C3=Cc3cc(C(N)=O)c[nH]3)=Nc3ccccc32)c1
InChIInChI=1S/C29H20N6O3/c30-28(37)15-9-17(32-13-15)11-21-19-5-1-3-7-23(19)34-25(21)27(36)26-22(20-6-2-4-8-24(20)35-26)12-18-10-16(14-33-18)29(31)38/h1-14,32-33H,(H2,30,37)(H2,31,38)
InChIKeyWZQORIXBWJXKIC-UHFFFAOYSA-N
XLogP4.06
TPSA159.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.52
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 174554769) is 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is NC(=O)c1c[nH]c(C=C2C(C(=O)C3=Nc4ccccc4C3=Cc3cc(C(N)=O)c[nH]3)=Nc3ccccc32)c1.
What is the InChIKey of 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WZQORIXBWJXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O3/c30-28(37)15-9-17(32-13-15)11-21-19-5-1-3-7-23(19)34-25(21)27(36)26-22(20-6-2-4-8-24(20)35-26)12-18-10-16(14-33-18)29(31)38/h1-14,32-33H,(H2,30,37)(H2,31,38).
What are the key properties of 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-[(4-carbamoyl-1H-pyrrol-2-yl)methylidene]indole-2-carbonyl]indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 174554769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).