1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C19H17F3N4 — CID 172828570

IUPAC1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1cc(Cc2ccnc(-n3ncc4c3CCNC4)c2)cc(C(F)F)c1
InChIInChI=1S/C19H17F3N4/c20-16-7-13(6-14(9-16)19(21)22)5-12-1-4-24-18(8-12)26-17-2-3-23-10-15(17)11-25-26/h1,4,6-9,11,19,23H,2-3,5,10H2
InChIKeyVFBBTLNAQCRCBP-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 172828570) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID172828570
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFc1cc(Cc2ccnc(-n3ncc4c3CCNC4)c2)cc(C(F)F)c1
InChIInChI=1S/C19H17F3N4/c20-16-7-13(6-14(9-16)19(21)22)5-12-1-4-24-18(8-12)26-17-2-3-23-10-15(17)11-25-26/h1,4,6-9,11,19,23H,2-3,5,10H2
InChIKeyVFBBTLNAQCRCBP-UHFFFAOYSA-N
XLogP3.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 172828570) is 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Fc1cc(Cc2ccnc(-n3ncc4c3CCNC4)c2)cc(C(F)F)c1.
What is the InChIKey of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is VFBBTLNAQCRCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c20-16-7-13(6-14(9-16)19(21)22)5-12-1-4-24-18(8-12)26-17-2-3-23-10-15(17)11-25-26/h1,4,6-9,11,19,23H,2-3,5,10H2.
What are the key properties of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 358.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 172828570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).