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

C24H29N7O2S — CID 121408869

IUPAC6,6-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
SMILESCn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC24CC4)C3=O)n1
InChIInChI=1S/C24H29N7O2S/c1-23(2)20-16(21(32)31(23)11-10-30-12-13-33-15-24(30)6-7-24)14-18(34-20)17-4-8-25-22(27-17)28-19-5-9-26-29(19)3/h4-5,8-9,14H,6-7,10-13,15H2,1-3H3,(H,25,27,28)
InChIKeyCORKGTFWULVYKP-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.24
Rot. Bonds6

About 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

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 (PubChem CID 121408869) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6-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
PubChem CID121408869
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name6,6-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
SMILESCn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC24CC4)C3=O)n1
InChIInChI=1S/C24H29N7O2S/c1-23(2)20-16(21(32)31(23)11-10-30-12-13-33-15-24(30)6-7-24)14-18(34-20)17-4-8-25-22(27-17)28-19-5-9-26-29(19)3/h4-5,8-9,14H,6-7,10-13,15H2,1-3H3,(H,25,27,28)
InChIKeyCORKGTFWULVYKP-UHFFFAOYSA-N
XLogP3.24
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
5'-[(3-chlorophenyl)methyl]-3'-fluoro-2'-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]spiro[oxetane-3,6'-thieno[2,3-c]pyrrole]-4'-one
CID 155307030
5'-[(3-chlorophenyl)methyl]-2'-[2-(oxetan-3-ylamino)pyrimidin-4-yl]spiro[oxetane-3,6'-thieno[2,3-c]pyrrole]-4'-one
CID 155307147
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 129077393
3-hydroxy-1-methyl-3-[5-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170573802
5'-[1-(3-chlorophenyl)-2-hydroxyethyl]-2'-[2-(oxetan-3-ylamino)pyrimidin-4-yl]spiro[oxetane-3,6'-thieno[2,3-c]pyrrole]-4'-one
CID 155307398
2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116709
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
N-(2-methylpyrazol-3-yl)-4-[3-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
CID 118209522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC24CC4)C3=O)n1.
What is the InChIKey of 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?
The InChIKey is CORKGTFWULVYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-23(2)20-16(21(32)31(23)11-10-30-12-13-33-15-24(30)6-7-24)14-18(34-20)17-4-8-25-22(27-17)28-19-5-9-26-29(19)3/h4-5,8-9,14H,6-7,10-13,15H2,1-3H3,(H,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 479.61 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121408869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).