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

C16H15F2N5O — CID 123850949

IUPAC1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccccc1
InChIInChI=1S/C16H15F2N5O/c1-9(10-5-3-2-4-6-10)20-16(24)21-13-7-12-11(8-19-13)14(15(17)18)23-22-12/h2-9,15H,1H3,(H,22,23)(H2,19,20,21,24)
InChIKeyFTJGOJKDVFEQJC-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.78
Rot. Bonds4

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

1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 123850949) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
PubChem CID123850949
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccccc1
InChIInChI=1S/C16H15F2N5O/c1-9(10-5-3-2-4-6-10)20-16(24)21-13-7-12-11(8-19-13)14(15(17)18)23-22-12/h2-9,15H,1H3,(H,22,23)(H2,19,20,21,24)
InChIKeyFTJGOJKDVFEQJC-UHFFFAOYSA-N
XLogP3.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 118380886
1-[3-(3-methoxypropyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 78110338
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381394
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555095
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 123850949) is 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is CC(NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccccc1.
What is the InChIKey of 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The InChIKey is FTJGOJKDVFEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-9(10-5-3-2-4-6-10)20-16(24)21-13-7-12-11(8-19-13)14(15(17)18)23-22-12/h2-9,15H,1H3,(H,22,23)(H2,19,20,21,24).
What are the key properties of 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 331.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 123850949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).