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1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea

C20H19N7O — CID 146216000

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
SMILESCc1ccc(-n2ncc3cc(NC(=O)NC(C)c4ccccc4)ncc32)nn1
InChIInChI=1S/C20H19N7O/c1-13-8-9-19(26-25-13)27-17-12-21-18(10-16(17)11-22-27)24-20(28)23-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,21,23,24,28)
InChIKeyWEVDBGUHRWCCJF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea

1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea (PubChem CID 146216000) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
PubChem CID146216000
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
SMILESCc1ccc(-n2ncc3cc(NC(=O)NC(C)c4ccccc4)ncc32)nn1
InChIInChI=1S/C20H19N7O/c1-13-8-9-19(26-25-13)27-17-12-21-18(10-16(17)11-22-27)24-20(28)23-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,21,23,24,28)
InChIKeyWEVDBGUHRWCCJF-UHFFFAOYSA-N
XLogP3.40
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea (CID 146216000) is 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea is Cc1ccc(-n2ncc3cc(NC(=O)NC(C)c4ccccc4)ncc32)nn1.
What is the InChIKey of 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea?
The InChIKey is WEVDBGUHRWCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13-8-9-19(26-25-13)27-17-12-21-18(10-16(17)11-22-27)24-20(28)23-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,21,23,24,28).
What are the key properties of 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea?
1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea has a molecular weight of 373.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylpyridazin-3-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 146216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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