(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one

C15H16N4O — CID 123774125

IUPAC(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one
SMILESCC(C)=c1[nH]/c(=C\c2c[nH]c3ncccc23)c(=O)n1C
InChIInChI=1S/C15H16N4O/c1-9(2)14-18-12(15(20)19(14)3)7-10-8-17-13-11(10)5-4-6-16-13/h4-8,18H,1-3H3,(H,16,17)/b12-7-
InChIKeyZPZCJAXZYNYJRZ-GHXNOFRVSA-N
MW268.32 g/mol
LogP0.61
Rot. Bonds1

About (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one

(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one (PubChem CID 123774125) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one
PubChem CID123774125
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one
SMILESCC(C)=c1[nH]/c(=C\c2c[nH]c3ncccc23)c(=O)n1C
InChIInChI=1S/C15H16N4O/c1-9(2)14-18-12(15(20)19(14)3)7-10-8-17-13-11(10)5-4-6-16-13/h4-8,18H,1-3H3,(H,16,17)/b12-7-
InChIKeyZPZCJAXZYNYJRZ-GHXNOFRVSA-N
XLogP0.61
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 141200880
(2E)-6-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 170179957
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-benzoxazin-3-one
CID 142655644
ethyl (E)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoate
CID 104503426
N-methyl-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69377006
3-[2-(bromomethyl)-3-methylbut-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 79323810
1-(4-methylpiperazin-1-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
CID 69375076
(Z)-2-(1-methylindol-3-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
CID 18400885
2-(4-acetamidophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
CID 69374897
(E)-2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoic acid
CID 119053850
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one (CID 123774125) is (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one is CC(C)=c1[nH]/c(=C\c2c[nH]c3ncccc23)c(=O)n1C.
What is the InChIKey of (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one?
The InChIKey is ZPZCJAXZYNYJRZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(2)14-18-12(15(20)19(14)3)7-10-8-17-13-11(10)5-4-6-16-13/h4-8,18H,1-3H3,(H,16,17)/b12-7-.
What are the key properties of (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one?
(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 123774125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).