1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea

C17H18FN5O2 — CID 123990060

IUPAC1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
SMILESCOC(C)CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H18FN5O2/c1-10(25-2)8-20-17(24)21-15-7-14-13(9-19-15)16(23-22-14)11-3-5-12(18)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyCFOGDTHPFWZZMC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.92
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea

1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea (PubChem CID 123990060) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
PubChem CID123990060
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea
SMILESCOC(C)CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H18FN5O2/c1-10(25-2)8-20-17(24)21-15-7-14-13(9-19-15)16(23-22-14)11-3-5-12(18)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23)(H2,19,20,21,24)
InChIKeyCFOGDTHPFWZZMC-UHFFFAOYSA-N
XLogP2.92
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123204732
1-[1-(4-fluorophenyl)-2-methoxyethyl]-3-[3-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123255433
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(1-methyl-6-oxo-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71554797
1-[(3-fluorophenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365266
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 71555314
1-[1-(4-fluorophenyl)ethyl]-3-[3-(3-methoxyazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123527581
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 118365227
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(pyridin-3-ylmethyl)urea
CID 71555316
1-[(3-methylimidazol-4-yl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555616
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(3-methylphenyl)methyl]urea
CID 144599326
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea?
The IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea (CID 123990060) is 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea is COC(C)CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea?
The InChIKey is CFOGDTHPFWZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10(25-2)8-20-17(24)21-15-7-14-13(9-19-15)16(23-22-14)11-3-5-12(18)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea?
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea has a molecular weight of 343.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-methoxypropyl)urea is sourced from PubChem (CID 123990060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).