1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea

C19H19ClN8O2S — CID 88954343

IUPAC1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cnn(CCO)c23)s1
InChIInChI=1S/C19H19ClN8O2S/c20-12-2-1-3-13(8-12)26-18(30)27-19-22-9-14(31-19)4-5-21-17-16-15(23-11-24-17)10-25-28(16)6-7-29/h1-3,8-11,29H,4-7H2,(H,21,23,24)(H2,22,26,27,30)
InChIKeyOXUMDTIVWYMMAS-UHFFFAOYSA-N
MW458.94 g/mol
LogP3.23
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 88954343) has the molecular formula C19H19ClN8O2S and a molecular weight of 458.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
PubChem CID88954343
Molecular FormulaC19H19ClN8O2S
Molecular Weight458.94 g/mol
Exact Mass458.10
IUPAC Name1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cnn(CCO)c23)s1
InChIInChI=1S/C19H19ClN8O2S/c20-12-2-1-3-13(8-12)26-18(30)27-19-22-9-14(31-19)4-5-21-17-16-15(23-11-24-17)10-25-28(16)6-7-29/h1-3,8-11,29H,4-7H2,(H,21,23,24)(H2,22,26,27,30)
InChIKeyOXUMDTIVWYMMAS-UHFFFAOYSA-N
XLogP3.23
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea with MolForge

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Related Compounds

7-chloro-1-methylpyrazolo[4,5-d]pyrimidine;1-(3-chlorophenyl)-3-[5-[2-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 161124246
2-[7-[2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethylamino]pyrazolo[4,3-d]pyrimidin-2-yl]acetic acid
CID 88954342
1-(3-chlorophenyl)-3-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 45137852
1-(3-chlorophenyl)-3-[5-[2-[(6-cyanothieno[3,2-b]pyridin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea
CID 45137695
N-[5-[2-[(1-ethylpyrazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 88954318
1-[3-(fluoromethyl)phenyl]-3-[5-[2-[[6-(1-methyltriazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
CID 89145748
1-(3-chloro-4-cyanophenyl)-3-[5-[2-(1,2,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-9-yl)ethyl]-1,3-thiazol-2-yl]urea
CID 89382518
1-[(3-chlorophenyl)methyl]-3-[5-[2-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 89145714
[3-chloro-N-[[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]anilino] methanesulfonate
CID 118511921
1-(3-chlorophenyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 4672772
1-(3-chlorophenyl)-1-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 156579181
1-[5-(2-thieno[3,2-d]pyrimidin-4-yloxyethyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143208161

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea (CID 88954343) is 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3cnn(CCO)c23)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is OXUMDTIVWYMMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8O2S/c20-12-2-1-3-13(8-12)26-18(30)27-19-22-9-14(31-19)4-5-21-17-16-15(23-11-24-17)10-25-28(16)6-7-29/h1-3,8-11,29H,4-7H2,(H,21,23,24)(H2,22,26,27,30).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 458.94 g/mol, XLogP of 3.23, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[2-[[1-(2-hydroxyethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 88954343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).