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

C20H17F5N6O — CID 118911021

IUPAC4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C20H17F5N6O/c21-19(22)31-9-12(7-28-31)14-6-15(18(26)32)29-16-10-30(4-2-13(14)16)8-11-1-3-27-17(5-11)20(23,24)25/h1,3,5-7,9,19H,2,4,8,10H2,(H2,26,32)
InChIKeyITWDHRQWOCHWGT-UHFFFAOYSA-N
MW452.39 g/mol
LogP3.41
Rot. Bonds5

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

4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911021) has the molecular formula C20H17F5N6O and a molecular weight of 452.39 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911021
Molecular FormulaC20H17F5N6O
Molecular Weight452.39 g/mol
Exact Mass452.14
IUPAC Name4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C20H17F5N6O/c21-19(22)31-9-12(7-28-31)14-6-15(18(26)32)29-16-10-30(4-2-13(14)16)8-11-1-3-27-17(5-11)20(23,24)25/h1,3,5-7,9,19H,2,4,8,10H2,(H2,26,32)
InChIKeyITWDHRQWOCHWGT-UHFFFAOYSA-N
XLogP3.41
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 25190898
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CID 117641885
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
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CID 118660845
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129816
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
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CID 57400053
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911021) is 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is ITWDHRQWOCHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N6O/c21-19(22)31-9-12(7-28-31)14-6-15(18(26)32)29-16-10-30(4-2-13(14)16)8-11-1-3-27-17(5-11)20(23,24)25/h1,3,5-7,9,19H,2,4,8,10H2,(H2,26,32).
What are the key properties of 4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-[1-(difluoromethyl)pyrazol-4-yl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 452.39 g/mol, XLogP of 3.41, 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-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).