N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide

C20H20N6O2S — CID 127045546

IUPACN,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN1C(=O)C=CC2=C(NN=C21)C3=NC(=C(S3)C4=CN=CC=C4)C(=O)N(C)C
InChIInChI=1S/C20H20N6O2S/c1-4-10-26-14(27)8-7-13-15(23-24-18(13)26)19-22-16(20(28)25(2)3)17(29-19)12-6-5-9-21-11-12/h5-9,11H,4,10H2,1-3H3,(H,23,24)
InChIKeyGTYFFCZDHXHKMT-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.20
Rot. Bonds5

About N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide

N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 127045546) has the molecular formula C20H20N6O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID127045546
Molecular FormulaC20H20N6O2S
Molecular Weight408.50 g/mol
Exact Mass408.14
IUPAC NameN,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN1C(=O)C=CC2=C(NN=C21)C3=NC(=C(S3)C4=CN=CC=C4)C(=O)N(C)C
InChIInChI=1S/C20H20N6O2S/c1-4-10-26-14(27)8-7-13-15(23-24-18(13)26)19-22-16(20(28)25(2)3)17(29-19)12-6-5-9-21-11-12/h5-9,11H,4,10H2,1-3H3,(H,23,24)
InChIKeyGTYFFCZDHXHKMT-UHFFFAOYSA-N
XLogP2.20
TPSA123.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity659

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-Propyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 71721528
3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567071
4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973049
N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 84973083
2-[5-methyl-4-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049488
2-[1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 137049532
2-[5-methyl-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049566
2-[5-Methyl-4-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049597
4-Phenyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567070
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 10271259
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 127045546) is N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide is CCCN1C(=O)C=CC2=C(NN=C21)C3=NC(=C(S3)C4=CN=CC=C4)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GTYFFCZDHXHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-4-10-26-14(27)8-7-13-15(23-24-18(13)26)19-22-16(20(28)25(2)3)17(29-19)12-6-5-9-21-11-12/h5-9,11H,4,10H2,1-3H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 127045546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).