2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one

C22H26ClN7O2S — CID 121408842

IUPAC2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1ncc(Cl)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
InChIInChI=1S/C22H26ClN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27)
InChIKeyLROUZRFNCHQGIW-UHFFFAOYSA-N
MW488.02 g/mol
LogP3.36
Rot. Bonds6

About 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one

2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one (PubChem CID 121408842) has the molecular formula C22H26ClN7O2S and a molecular weight of 488.02 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
PubChem CID121408842
Molecular FormulaC22H26ClN7O2S
Molecular Weight488.02 g/mol
Exact Mass487.16
IUPAC Name2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
SMILESCn1nccc1Nc1ncc(Cl)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1
InChIInChI=1S/C22H26ClN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27)
InChIKeyLROUZRFNCHQGIW-UHFFFAOYSA-N
XLogP3.36
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.02
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one with MolForge

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Related Compounds

6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one;(3E)-3-hydroxysulfanylpenta-1,3-diene
CID 155722524
6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-[2-(7-oxa-4-azaspiro[2.5]octan-4-yl)ethyl]thieno[2,3-c]pyrrol-4-one
CID 121408869
5-(2-hydroxyethyl)-6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]thieno[2,3-c]pyrrol-4-one
CID 121408831
4-[[4-[6,6-dimethyl-5-(2-morpholin-4-ylethyl)-4-oxothieno[2,3-c]pyrrol-2-yl]-5-fluoropyrimidin-2-yl]amino]-3-methoxypyrazole-1-carboxylic acid
CID 121408833
tert-butyl 2-[2-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-6,6-dimethyl-4-oxothieno[2,3-c]pyrrol-5-yl]propanoate
CID 155146795
5-chloro-4-N-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 141336732
(2S)-2-amino-2-(3-fluoro-5-methoxyphenyl)ethanol;(2R)-2-[2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]-N-[(1S)-1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]propanamide;2-[2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]propanoic acid
CID 165058854
6-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 155184089
2-[(2-methylpyrazol-3-yl)amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 117080435
5-methyl-2-N-(2-methylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 69083953
3'-chloro-5'-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2'-[5-fluoro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]spiro[oxetane-3,6'-thieno[2,3-c]pyrrole]-4'-one
CID 155307001
4-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-N-[(2,4-dichlorophenyl)methyl]thiophene-2-carboxamide
CID 170563493

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The IUPAC name of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one (CID 121408842) is 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one.
What is the SMILES notation for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The canonical SMILES for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one is Cn1nccc1Nc1ncc(Cl)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1.
What is the InChIKey of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
The InChIKey is LROUZRFNCHQGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN7O2S/c1-22(2)19-14(20(31)30(22)7-6-29-8-10-32-11-9-29)12-16(33-19)18-15(23)13-24-21(27-18)26-17-4-5-25-28(17)3/h4-5,12-13H,6-11H2,1-3H3,(H,24,26,27).
What are the key properties of 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one?
2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one has a molecular weight of 488.02 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,6-dimethyl-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one is sourced from PubChem (CID 121408842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).