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

C15H14FN5O2 — CID 118365266

IUPAC1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccc(F)c3)ncc12
InChIInChI=1S/C15H14FN5O2/c1-23-14-11-8-17-13(6-12(11)20-21-14)19-15(22)18-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyIUEBHVXPSWEUSY-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.43
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365266) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365266
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccc(F)c3)ncc12
InChIInChI=1S/C15H14FN5O2/c1-23-14-11-8-17-13(6-12(11)20-21-14)19-15(22)18-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyIUEBHVXPSWEUSY-UHFFFAOYSA-N
XLogP2.43
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
CID 123990060
1-(2-hydroxy-1-phenylpropyl)-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123506062
1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 25009850
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-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365419
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-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-3-ylmethyl)urea
CID 71555316

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365266) is 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)NCc3cccc(F)c3)ncc12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is IUEBHVXPSWEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-23-14-11-8-17-13(6-12(11)20-21-14)19-15(22)18-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,20,21)(H2,17,18,19,22).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 315.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).