3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H18N6O2S — CID 27698128

IUPAC3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H18N6O2S/c1-9(2)24-15-11(6-21-24)5-12(7-19-15)22-16(25)14-10(3)13-17(27-14)20-8-23(4)18(13)26/h5-9H,1-4H3,(H,22,25)
InChIKeyUWUKMTHVTGMTFI-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.88
Rot. Bonds3

About 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 27698128) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID27698128
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H18N6O2S/c1-9(2)24-15-11(6-21-24)5-12(7-19-15)22-16(25)14-10(3)13-17(27-14)20-8-23(4)18(13)26/h5-9H,1-4H3,(H,22,25)
InChIKeyUWUKMTHVTGMTFI-UHFFFAOYSA-N
XLogP2.88
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
N-(1H-indazol-5-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 134050835
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
3,5-dimethyl-N-[3-(methylcarbamoyl)phenyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18146247
3,5-dimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865272
2-(4-chlorophenyl)-4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-5-carboxamide
CID 26956456
3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26691237
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38325807
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
N-[3-chloro-4-(difluoromethoxy)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26587290
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 60537997

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 27698128) is 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UWUKMTHVTGMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-9(2)24-15-11(6-21-24)5-12(7-19-15)22-16(25)14-10(3)13-17(27-14)20-8-23(4)18(13)26/h5-9H,1-4H3,(H,22,25).
What are the key properties of 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 27698128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).