1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one

C16H17N5O2S — CID 136533559

IUPAC1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cs1
InChIInChI=1S/C16H17N5O2S/c1-9-19-12(8-24-9)13-4-3-5-21(13)16(23)11-6-17-15-10(14(11)22)7-18-20(15)2/h6-8,13H,3-5H2,1-2H3,(H,17,22)
InChIKeySIGZXGSIWUVQHC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.00
Rot. Bonds2

About 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one

1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 136533559) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID136533559
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cs1
InChIInChI=1S/C16H17N5O2S/c1-9-19-12(8-24-9)13-4-3-5-21(13)16(23)11-6-17-15-10(14(11)22)7-18-20(15)2/h6-8,13H,3-5H2,1-2H3,(H,17,22)
InChIKeySIGZXGSIWUVQHC-UHFFFAOYSA-N
XLogP2.00
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 124873595
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
(2R)-N-[(3R,4R)-4-methyl-2-oxopiperidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124626874
5-[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 97143712
N-methyl-N-[4-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 166413666
(2-methyl-1,3-thiazol-4-yl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95136623
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one (CID 136533559) is 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cs1.
What is the InChIKey of 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is SIGZXGSIWUVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-19-12(8-24-9)13-4-3-5-21(13)16(23)11-6-17-15-10(14(11)22)7-18-20(15)2/h6-8,13H,3-5H2,1-2H3,(H,17,22).
What are the key properties of 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 343.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 136533559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).