1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea

C16H17N5O2 — CID 144599326

IUPAC1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccc(C)c3)ncc12
InChIInChI=1S/C16H17N5O2/c1-10-4-3-5-11(6-10)8-18-16(22)19-14-7-13-12(9-17-14)15(23-2)21-20-13/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19,22)
InChIKeyDQPXMCXLDGHIGY-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea

1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 144599326) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
PubChem CID144599326
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccc(C)c3)ncc12
InChIInChI=1S/C16H17N5O2/c1-10-4-3-5-11(6-10)8-18-16(22)19-14-7-13-12(9-17-14)15(23-2)21-20-13/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19,22)
InChIKeyDQPXMCXLDGHIGY-UHFFFAOYSA-N
XLogP2.60
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-3-ylmethyl)urea
CID 71555316
1-[(1S)-2-ethoxy-1-phenylethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365348
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365369
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 71555314
1-(3-amino-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 118380837
1-[(3S,5S)-5-(difluoromethyl)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 144599028
1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea
CID 118271987
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
CID 123990060

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea (CID 144599326) is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea is COc1n[nH]c2cc(NC(=O)NCc3cccc(C)c3)ncc12.
What is the InChIKey of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is DQPXMCXLDGHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-4-3-5-11(6-10)8-18-16(22)19-14-7-13-12(9-17-14)15(23-2)21-20-13/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,17,18,19,22).
What are the key properties of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea?
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 311.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 144599326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).