1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

C20H25FN6O2S — CID 146618180

IUPAC1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCCn1cc(F)c(S(N)(=O)=NC(=O)Nc2c3c(nc(C4CC4)c2C2CC2)CCC3)n1
InChIInChI=1S/C20H25FN6O2S/c1-2-27-10-14(21)19(25-27)30(22,29)26-20(28)24-18-13-4-3-5-15(13)23-17(12-8-9-12)16(18)11-6-7-11/h10-12H,2-9H2,1H3,(H3,22,23,24,26,28,29)
InChIKeyBALFGZTYPCZCLU-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.61
Rot. Bonds5

About 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (PubChem CID 146618180) has the molecular formula C20H25FN6O2S and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.

Molecular Properties

Compound Name1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
PubChem CID146618180
Molecular FormulaC20H25FN6O2S
Molecular Weight432.53 g/mol
Exact Mass432.17
IUPAC Name1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCCn1cc(F)c(S(N)(=O)=NC(=O)Nc2c3c(nc(C4CC4)c2C2CC2)CCC3)n1
InChIInChI=1S/C20H25FN6O2S/c1-2-27-10-14(21)19(25-27)30(22,29)26-20(28)24-18-13-4-3-5-15(13)23-17(12-8-9-12)16(18)11-6-7-11/h10-12H,2-9H2,1H3,(H3,22,23,24,26,28,29)
InChIKeyBALFGZTYPCZCLU-UHFFFAOYSA-N
XLogP3.61
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The IUPAC name of 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (CID 146618180) is 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.
What is the SMILES notation for 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The canonical SMILES for 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is CCn1cc(F)c(S(N)(=O)=NC(=O)Nc2c3c(nc(C4CC4)c2C2CC2)CCC3)n1.
What is the InChIKey of 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The InChIKey is BALFGZTYPCZCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O2S/c1-2-27-10-14(21)19(25-27)30(22,29)26-20(28)24-18-13-4-3-5-15(13)23-17(12-8-9-12)16(18)11-6-7-11/h10-12H,2-9H2,1H3,(H3,22,23,24,26,28,29).
What are the key properties of 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea has a molecular weight of 432.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-ethyl-4-fluoropyrazol-3-yl)-oxo-λ6-sulfanylidene]-3-(2,3-dicyclopropyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is sourced from PubChem (CID 146618180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).