1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C19H19N7OS — CID 121416463

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(C)c4csc(C)n4)ncc32)ccn1
InChIInChI=1S/C19H19N7OS/c1-11-6-15(4-5-20-11)26-17-9-21-18(7-14(17)8-22-26)25-19(27)23-12(2)16-10-28-13(3)24-16/h4-10,12H,1-3H3,(H2,21,23,25,27)
InChIKeyAOFFUDJSPUKQOM-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.77
Rot. Bonds4

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 121416463) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID121416463
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC(C)c4csc(C)n4)ncc32)ccn1
InChIInChI=1S/C19H19N7OS/c1-11-6-15(4-5-20-11)26-17-9-21-18(7-14(17)8-22-26)25-19(27)23-12(2)16-10-28-13(3)24-16/h4-10,12H,1-3H3,(H2,21,23,25,27)
InChIKeyAOFFUDJSPUKQOM-UHFFFAOYSA-N
XLogP3.77
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S)-3-[[4-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 56925241
(S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (10)
CID 56942439
(S)-1-(3-((4-((Dimethylamino)methyl)-6-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-2-yl)amino)pyrrolidin-1-yl)prop-2-en-1-one (11)
CID 124201738
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332249
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134217397
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
1-[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555013
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71555618
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 73507153
5-bromo-2-pyrazolo[5,4-c]pyridin-1-yl-4-N-(1,3-thiazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 76853212
5-bromo-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-pyrazolo[5,4-c]pyridin-1-ylpyrimidine-4,6-diamine
CID 77107297

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 121416463) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC(C)c4csc(C)n4)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is AOFFUDJSPUKQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-11-6-15(4-5-20-11)26-17-9-21-18(7-14(17)8-22-26)25-19(27)23-12(2)16-10-28-13(3)24-16/h4-10,12H,1-3H3,(H2,21,23,25,27).
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 393.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 121416463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).