1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea

C18H22N8O — CID 175003165

IUPAC1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn3c2CCCC3)n1
InChIInChI=1S/C18H22N8O/c1-12(2)25-11-19-24-17(25)13-6-5-8-16(21-13)23-18(27)22-14-10-20-26-9-4-3-7-15(14)26/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H2,21,22,23,27)
InChIKeyFVANEFNFKNZNRG-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.10
Rot. Bonds4

About 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea

1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea (PubChem CID 175003165) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
PubChem CID175003165
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn3c2CCCC3)n1
InChIInChI=1S/C18H22N8O/c1-12(2)25-11-19-24-17(25)13-6-5-8-16(21-13)23-18(27)22-14-10-20-26-9-4-3-7-15(14)26/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H2,21,22,23,27)
InChIKeyFVANEFNFKNZNRG-UHFFFAOYSA-N
XLogP3.10
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea (CID 175003165) is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The canonical SMILES for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnn3c2CCCC3)n1.
What is the InChIKey of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
The InChIKey is FVANEFNFKNZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-12(2)25-11-19-24-17(25)13-6-5-8-16(21-13)23-18(27)22-14-10-20-26-9-4-3-7-15(14)26/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H2,21,22,23,27).
What are the key properties of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea?
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea has a molecular weight of 366.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea is sourced from PubChem (CID 175003165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).