1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea

C20H22N6O2S — CID 167887337

IUPAC1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)Nc1cc2n(n1)CCC2
InChIInChI=1S/C20H22N6O2S/c27-19(23-18-12-16-2-1-7-26(16)24-18)21-15-5-3-14(4-6-15)17-13-29-20(22-17)25-8-10-28-11-9-25/h3-6,12-13H,1-2,7-11H2,(H2,21,23,24,27)
InChIKeyLQULBFSJWHTGLB-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.43
Rot. Bonds4

About 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea

1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 167887337) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID167887337
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)Nc1cc2n(n1)CCC2
InChIInChI=1S/C20H22N6O2S/c27-19(23-18-12-16-2-1-7-26(16)24-18)21-15-5-3-14(4-6-15)17-13-29-20(22-17)25-8-10-28-11-9-25/h3-6,12-13H,1-2,7-11H2,(H2,21,23,24,27)
InChIKeyLQULBFSJWHTGLB-UHFFFAOYSA-N
XLogP3.43
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea 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

1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
CID 166240344
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 24573079
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
CID 41452060
2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
2-(3-acetylphenoxy)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24573065

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea (CID 167887337) is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)Nc1cc2n(n1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is LQULBFSJWHTGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c27-19(23-18-12-16-2-1-7-26(16)24-18)21-15-5-3-14(4-6-15)17-13-29-20(22-17)25-8-10-28-11-9-25/h3-6,12-13H,1-2,7-11H2,(H2,21,23,24,27).
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea?
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 410.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-3-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 167887337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).