1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C16H21N7O — CID 71976488

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCc1nn(C)c2ncc(NC(=O)Nc3cnn(CC(C)C)c3)cc12
InChIInChI=1S/C16H21N7O/c1-10(2)8-23-9-13(7-18-23)20-16(24)19-12-5-14-11(3)21-22(4)15(14)17-6-12/h5-7,9-10H,8H2,1-4H3,(H2,19,20,24)
InChIKeyCCUXXEWLMAMDHW-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.77
Rot. Bonds4

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 71976488) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID71976488
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCc1nn(C)c2ncc(NC(=O)Nc3cnn(CC(C)C)c3)cc12
InChIInChI=1S/C16H21N7O/c1-10(2)8-23-9-13(7-18-23)20-16(24)19-12-5-14-11(3)21-22(4)15(14)17-6-12/h5-7,9-10H,8H2,1-4H3,(H2,19,20,24)
InChIKeyCCUXXEWLMAMDHW-UHFFFAOYSA-N
XLogP2.77
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-hydroxybutyl)urea
CID 111336846
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 62637301
3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoylamino]-2,2-dimethylpropanamide
CID 86993902
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylpentanamide
CID 104684058
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-methylsulfonylpropanamide
CID 47203922
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 100619755
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
CID 56813426
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857890
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 71976488) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is Cc1nn(C)c2ncc(NC(=O)Nc3cnn(CC(C)C)c3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is CCUXXEWLMAMDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)8-23-9-13(7-18-23)20-16(24)19-12-5-14-11(3)21-22(4)15(14)17-6-12/h5-7,9-10H,8H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 327.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 71976488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).