1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

C20H24F2N6O2S — CID 146617765

IUPAC1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCc1c(C2CC2)nc2c(c1NC(=O)N=S(N)(=O)c1cnn3c1C(F)(F)CCC3)CCC2
InChIInChI=1S/C20H24F2N6O2S/c1-11-16(12-6-7-12)25-14-5-2-4-13(14)17(11)26-19(29)27-31(23,30)15-10-24-28-9-3-8-20(21,22)18(15)28/h10,12H,2-9H2,1H3,(H3,23,25,26,27,29,30)
InChIKeyKSUGEZMQTGESLK-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.77
Rot. Bonds3

About 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (PubChem CID 146617765) has the molecular formula C20H24F2N6O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.

Molecular Properties

Compound Name1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
PubChem CID146617765
Molecular FormulaC20H24F2N6O2S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Name1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCc1c(C2CC2)nc2c(c1NC(=O)N=S(N)(=O)c1cnn3c1C(F)(F)CCC3)CCC2
InChIInChI=1S/C20H24F2N6O2S/c1-11-16(12-6-7-12)25-14-5-2-4-13(14)17(11)26-19(29)27-31(23,30)15-10-24-28-9-3-8-20(21,22)18(15)28/h10,12H,2-9H2,1H3,(H3,23,25,26,27,29,30)
InChIKeyKSUGEZMQTGESLK-UHFFFAOYSA-N
XLogP3.77
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-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-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The IUPAC name of 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (CID 146617765) is 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.
What is the SMILES notation for 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The canonical SMILES for 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is Cc1c(C2CC2)nc2c(c1NC(=O)N=S(N)(=O)c1cnn3c1C(F)(F)CCC3)CCC2.
What is the InChIKey of 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The InChIKey is KSUGEZMQTGESLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O2S/c1-11-16(12-6-7-12)25-14-5-2-4-13(14)17(11)26-19(29)27-31(23,30)15-10-24-28-9-3-8-20(21,22)18(15)28/h10,12H,2-9H2,1H3,(H3,23,25,26,27,29,30).
What are the key properties of 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea has a molecular weight of 450.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl)-oxo-λ6-sulfanylidene]-3-(2-cyclopropyl-3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is sourced from PubChem (CID 146617765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).