1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C14H17N7OS — CID 71857890

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cnc3c(c2)c(C)nn3C)cs1
InChIInChI=1S/C14H17N7OS/c1-8-11-4-9(5-16-12(11)21(3)20-8)18-13(22)17-6-10-7-23-14(15-2)19-10/h4-5,7H,6H2,1-3H3,(H,15,19)(H2,17,18,22)
InChIKeyUERUQNNUOMPNKY-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.10
Rot. Bonds4

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71857890) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71857890
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2cnc3c(c2)c(C)nn3C)cs1
InChIInChI=1S/C14H17N7OS/c1-8-11-4-9(5-16-12(11)21(3)20-8)18-13(22)17-6-10-7-23-14(15-2)19-10/h4-5,7H,6H2,1-3H3,(H,15,19)(H2,17,18,22)
InChIKeyUERUQNNUOMPNKY-UHFFFAOYSA-N
XLogP2.10
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71857890) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2cnc3c(c2)c(C)nn3C)cs1.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is UERUQNNUOMPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-8-11-4-9(5-16-12(11)21(3)20-8)18-13(22)17-6-10-7-23-14(15-2)19-10/h4-5,7H,6H2,1-3H3,(H,15,19)(H2,17,18,22).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 331.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71857890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).