4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C21H19F5N6O — CID 118911185

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(c1ccnc(C(F)(F)F)c1)N1CCc2c(-c3cnn(C(F)F)c3)cc(C(N)=O)nc2C1
InChIInChI=1S/C21H19F5N6O/c1-11(12-2-4-28-18(6-12)21(24,25)26)31-5-3-14-15(13-8-29-32(9-13)20(22)23)7-16(19(27)33)30-17(14)10-31/h2,4,6-9,11,20H,3,5,10H2,1H3,(H2,27,33)
InChIKeyYDSFBDJOIPTAED-UHFFFAOYSA-N
MW466.41 g/mol
LogP3.97
Rot. Bonds5

About 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911185) has the molecular formula C21H19F5N6O and a molecular weight of 466.41 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911185
Molecular FormulaC21H19F5N6O
Molecular Weight466.41 g/mol
Exact Mass466.15
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(c1ccnc(C(F)(F)F)c1)N1CCc2c(-c3cnn(C(F)F)c3)cc(C(N)=O)nc2C1
InChIInChI=1S/C21H19F5N6O/c1-11(12-2-4-28-18(6-12)21(24,25)26)31-5-3-14-15(13-8-29-32(9-13)20(22)23)7-16(19(27)33)30-17(14)10-31/h2,4,6-9,11,20H,3,5,10H2,1H3,(H2,27,33)
InChIKeyYDSFBDJOIPTAED-UHFFFAOYSA-N
XLogP3.97
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911185) is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC(c1ccnc(C(F)(F)F)c1)N1CCc2c(-c3cnn(C(F)F)c3)cc(C(N)=O)nc2C1.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is YDSFBDJOIPTAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N6O/c1-11(12-2-4-28-18(6-12)21(24,25)26)31-5-3-14-15(13-8-29-32(9-13)20(22)23)7-16(19(27)33)30-17(14)10-31/h2,4,6-9,11,20H,3,5,10H2,1H3,(H2,27,33).
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 466.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).