1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

C20H19N7O — CID 150174637

IUPAC1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1
InChIInChI=1S/C20H19N7O/c1-13(2)27-12-22-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-15-7-4-3-6-14(15)10-11-21-18/h3-13H,1-2H3,(H2,21,23,24,25,28)
InChIKeyFKDNUEBNRIFBDZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.11
Rot. Bonds4

About 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (PubChem CID 150174637) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
PubChem CID150174637
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1
InChIInChI=1S/C20H19N7O/c1-13(2)27-12-22-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-15-7-4-3-6-14(15)10-11-21-18/h3-13H,1-2H3,(H2,21,23,24,25,28)
InChIKeyFKDNUEBNRIFBDZ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The IUPAC name of 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (CID 150174637) is 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1.
What is the InChIKey of 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The InChIKey is FKDNUEBNRIFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13(2)27-12-22-26-19(27)16-8-5-9-17(23-16)24-20(28)25-18-15-7-4-3-6-14(15)10-11-21-18/h3-13H,1-2H3,(H2,21,23,24,25,28).
What are the key properties of 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea has a molecular weight of 373.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is sourced from PubChem (CID 150174637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).