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

C20H18F4N6O2 — CID 118911238

IUPAC7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(OC(F)F)c1)CC2
InChIInChI=1S/C20H18F4N6O2/c21-19(22)30-9-12(7-27-30)14-6-15(18(25)31)28-16-10-29(4-2-13(14)16)8-11-1-3-26-17(5-11)32-20(23)24/h1,3,5-7,9,19-20H,2,4,8,10H2,(H2,25,31)
InChIKeyVQBFPBIKHMLHGU-UHFFFAOYSA-N
MW450.40 g/mol
LogP2.99
Rot. Bonds7

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

7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911238) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911238
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC Name7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(OC(F)F)c1)CC2
InChIInChI=1S/C20H18F4N6O2/c21-19(22)30-9-12(7-27-30)14-6-15(18(25)31)28-16-10-29(4-2-13(14)16)8-11-1-3-26-17(5-11)32-20(23)24/h1,3,5-7,9,19-20H,2,4,8,10H2,(H2,25,31)
InChIKeyVQBFPBIKHMLHGU-UHFFFAOYSA-N
XLogP2.99
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911238) is 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(OC(F)F)c1)CC2.
What is the InChIKey of 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is VQBFPBIKHMLHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O2/c21-19(22)30-9-12(7-27-30)14-6-15(18(25)31)28-16-10-29(4-2-13(14)16)8-11-1-3-26-17(5-11)32-20(23)24/h1,3,5-7,9,19-20H,2,4,8,10H2,(H2,25,31).
What are the key properties of 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).