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

C20H17ClN6O — CID 71555461

IUPAC1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1
InChIInChI=1S/C20H17ClN6O/c1-12-8-14(6-7-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-2-4-15(21)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyOFOGPUQRNQCCIH-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.30
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555461) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555461
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1
InChIInChI=1S/C20H17ClN6O/c1-12-8-14(6-7-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-2-4-15(21)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28)
InChIKeyOFOGPUQRNQCCIH-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-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555461) is 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is OFOGPUQRNQCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-12-8-14(6-7-22-12)19-16-11-23-18(9-17(16)26-27-19)25-20(28)24-10-13-2-4-15(21)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)(H2,23,24,25,28).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(4-chlorophenyl)methyl]-3-[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-[(4-chlorophenyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).