2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid

C16H15N5O3S — CID 169422337

IUPAC2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2c1C(c1cccn1-c1nccs1)CC(=O)N2
InChIInChI=1S/C16H15N5O3S/c1-9-14-10(11-3-2-5-20(11)16-17-4-6-25-16)7-12(22)18-15(14)21(19-9)8-13(23)24/h2-6,10H,7-8H2,1H3,(H,18,22)(H,23,24)
InChIKeyQXTHSSORWAVCPZ-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.00
Rot. Bonds4

About 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid

2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid (PubChem CID 169422337) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
PubChem CID169422337
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c2c1C(c1cccn1-c1nccs1)CC(=O)N2
InChIInChI=1S/C16H15N5O3S/c1-9-14-10(11-3-2-5-20(11)16-17-4-6-25-16)7-12(22)18-15(14)21(19-9)8-13(23)24/h2-6,10H,7-8H2,1H3,(H,18,22)(H,23,24)
InChIKeyQXTHSSORWAVCPZ-UHFFFAOYSA-N
XLogP2.00
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid with MolForge

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Related Compounds

ethyl 2-[(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887666
ethyl 2-[4-(3-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632835
(4R)-4-(5-acetylthiophen-3-yl)-1-benzyl-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136697855
2-[(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 136882294
ethyl 2-[(4S)-4-(2-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136800404
ethyl 2-[(4R)-4-(5-bromothiophen-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887759
ethyl 2-[(4S)-3-methyl-6-oxo-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887213
ethyl 2-[3-methyl-6-oxo-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632933
ethyl 2-[(4R)-4-(4-cyanophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 136887292
3-methyl-1-[(3-methylphenyl)methyl]-4-(1H-pyrazol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169414021
4-[(4R)-3-methyl-6-oxo-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135902370
2-[2-methoxy-4-[(4S)-3-methyl-6-oxo-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 136713751

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid (CID 169422337) is 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid is Cc1nn(CC(=O)O)c2c1C(c1cccn1-c1nccs1)CC(=O)N2.
What is the InChIKey of 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
The InChIKey is QXTHSSORWAVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-9-14-10(11-3-2-5-20(11)16-17-4-6-25-16)7-12(22)18-15(14)21(19-9)8-13(23)24/h2-6,10H,7-8H2,1H3,(H,18,22)(H,23,24).
What are the key properties of 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid?
2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid has a molecular weight of 357.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-oxo-4-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetic acid is sourced from PubChem (CID 169422337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).