1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea

C32H38N6O3S — CID 137495294

IUPAC1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea
SMILESCOCCC1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc(N=S(C)(C)=O)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C32H38N6O3S/c1-22-30(25-15-16-29(33-21-25)37-42(3,4)40)36-38(26-13-9-6-10-14-26)31(22)35-32(39)34-28-20-23(17-18-41-2)19-27(28)24-11-7-5-8-12-24/h5-16,21,23,27-28H,17-20H2,1-4H3,(H2,34,35,39)/t23?,27-,28+/m0/s1
InChIKeyGHDKEWHBLJOUTO-WHWDJVTISA-N
MW586.76 g/mol
LogP6.32
Rot. Bonds9

About 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea

1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea (PubChem CID 137495294) has the molecular formula C32H38N6O3S and a molecular weight of 586.76 g/mol. Its IUPAC name is 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea.

Molecular Properties

Compound Name1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea
PubChem CID137495294
Molecular FormulaC32H38N6O3S
Molecular Weight586.76 g/mol
Exact Mass586.27
IUPAC Name1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea
SMILESCOCCC1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc(N=S(C)(C)=O)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C32H38N6O3S/c1-22-30(25-15-16-29(33-21-25)37-42(3,4)40)36-38(26-13-9-6-10-14-26)31(22)35-32(39)34-28-20-23(17-18-41-2)19-27(28)24-11-7-5-8-12-24/h5-16,21,23,27-28H,17-20H2,1-4H3,(H2,34,35,39)/t23?,27-,28+/m0/s1
InChIKeyGHDKEWHBLJOUTO-WHWDJVTISA-N
XLogP6.32
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.76
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]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

4-[5-[[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]benzoic acid
CID 130355253
1-[(1R,2S,4S)-2-(4-fluorophenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355286
1-[(1R,2S,4S)-2-(2-fluoro-4-pyridinyl)-4-(2-methoxyethyl)cyclopentyl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 137495130
1-[(1R,2S)-2-(3,4-dihydroxyphenyl)-4-(2-methoxyethyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130355261
5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
CID 137495236
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-[4-methyl-3-(1,5-naphthyridin-3-yl)-1-phenylpyrazol-5-yl]urea
CID 137495225
1-[(1R,2S)-4-(2-cyclopropyloxyethyl)-2-(2-fluoro-4-pyridinyl)cyclopentyl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 155279805
N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
CID 137495123
1-[(2R,3S)-5-(2-methoxyethyl)-2-phenyloxolan-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 135226228
1-[3-[2-(dimethylamino)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 71015382
5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-methylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
CID 163991555
1-[(3S)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 148775096

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea?
The IUPAC name of 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea (CID 137495294) is 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea.
What is the SMILES notation for 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea?
The canonical SMILES for 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea is COCCC1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc(N=S(C)(C)=O)nc3)nn2-c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea?
The InChIKey is GHDKEWHBLJOUTO-WHWDJVTISA-N. The full InChI is InChI=1S/C32H38N6O3S/c1-22-30(25-15-16-29(33-21-25)37-42(3,4)40)36-38(26-13-9-6-10-14-26)31(22)35-32(39)34-28-20-23(17-18-41-2)19-27(28)24-11-7-5-8-12-24/h5-16,21,23,27-28H,17-20H2,1-4H3,(H2,34,35,39)/t23?,27-,28+/m0/s1.
What are the key properties of 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea?
1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea has a molecular weight of 586.76 g/mol, XLogP of 6.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(1R,2S)-4-(2-methoxyethyl)-2-phenylcyclopentyl]urea is sourced from PubChem (CID 137495294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).