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

C22H22F2N6O — CID 118910981

IUPAC7-[(2-cyclopropyl-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(C3CC3)c1)CC2
InChIInChI=1S/C22H22F2N6O/c23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14/h3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31)
InChIKeyZVLAUIGEFCGBRV-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.27
Rot. Bonds6

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

7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118910981) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118910981
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name7-[(2-cyclopropyl-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(C3CC3)c1)CC2
InChIInChI=1S/C22H22F2N6O/c23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14/h3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31)
InChIKeyZVLAUIGEFCGBRV-UHFFFAOYSA-N
XLogP3.27
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118910981) is 7-[(2-cyclopropyl-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-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[(2-cyclopropyl-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(C3CC3)c1)CC2.
What is the InChIKey of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is ZVLAUIGEFCGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14/h3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31).
What are the key properties of 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118910981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).