1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C20H17ClN6O — CID 71555017

IUPAC1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3c(Cl)c(NC(=O)NCc4ccccc4)ncc23)ccn1
InChIInChI=1S/C20H17ClN6O/c1-12-9-14(7-8-22-12)17-15-11-23-19(16(21)18(15)27-26-17)25-20(28)24-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyNKUPIUKZPOHVNG-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.30
Rot. Bonds4

About 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555017) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555017
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3c(Cl)c(NC(=O)NCc4ccccc4)ncc23)ccn1
InChIInChI=1S/C20H17ClN6O/c1-12-9-14(7-8-22-12)17-15-11-23-19(16(21)18(15)27-26-17)25-20(28)24-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyNKUPIUKZPOHVNG-UHFFFAOYSA-N
XLogP4.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555017) is 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3c(Cl)c(NC(=O)NCc4ccccc4)ncc23)ccn1.
What is the InChIKey of 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is NKUPIUKZPOHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-12-9-14(7-8-22-12)17-15-11-23-19(16(21)18(15)27-26-17)25-20(28)24-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28).
What are the key properties of 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 392.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[7-chloro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).