7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane

C47H48F7N10O2P — CID 145025461

IUPAC7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
SMILESCC.NC(=O)c1cc(-c2cccc(C(F)(F)P)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C3CC3)c1)CC2
InChIInChI=1S/C23H20F5N4OP.C22H22F2N6O.C2H6/c24-22(25,26)20-8-13(4-6-30-20)11-32-7-5-16-17(10-18(21(29)33)31-19(16)12-32)14-2-1-3-15(9-14)23(27,28)34;23-22(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;1-2/h1-4,6,8-10H,5,7,11-12,34H2,(H2,29,33);3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31);1-2H3
InChIKeySXZYBFBHAOONSL-UHFFFAOYSA-N
MW948.93 g/mol
LogP9.04
Rot. Bonds11

About 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane

7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane (PubChem CID 145025461) has the molecular formula C47H48F7N10O2P and a molecular weight of 948.93 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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
PubChem CID145025461
Molecular FormulaC47H48F7N10O2P
Molecular Weight948.93 g/mol
Exact Mass948.36
IUPAC Name7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane
SMILESCC.NC(=O)c1cc(-c2cccc(C(F)(F)P)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.NC(=O)c1cc(-c2cnn(C(F)F)c2)c2c(n1)CN(Cc1ccnc(C3CC3)c1)CC2
InChIInChI=1S/C23H20F5N4OP.C22H22F2N6O.C2H6/c24-22(25,26)20-8-13(4-6-30-20)11-32-7-5-16-17(10-18(21(29)33)31-19(16)12-32)14-2-1-3-15(9-14)23(27,28)34;23-22(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;1-2/h1-4,6,8-10H,5,7,11-12,34H2,(H2,29,33);3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31);1-2H3
InChIKeySXZYBFBHAOONSL-UHFFFAOYSA-N
XLogP9.04
TPSA162.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.93
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane with MolForge

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Related Compounds

7-[[2-Cyclopropyl-6-(trifluoromethyl)pyridin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 71566277
4-(1-Methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554820
4-(1-Methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554827
8-Fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 89554871
US10072003, Example 1-9
CID 118911174
US10072003, Example 1-15A
CID 118911356
US9580418, Example 5
CID 118646860
(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
CID 155925951
US10072003, Example 2-9
CID 118910981
US10072003, Example 2-5
CID 118911021
US10072003, Example 1-6
CID 118911171
US10072003, Example 7-3A
CID 118911185

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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?
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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane (CID 145025461) is 7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane.
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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?
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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane is CC.NC(=O)c1cc(-c2cccc(C(F)(F)P)c2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?
The InChIKey is SXZYBFBHAOONSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N4OP.C22H22F2N6O.C2H6/c24-22(25,26)20-8-13(4-6-30-20)11-32-7-5-16-17(10-18(21(29)33)31-19(16)12-32)14-2-1-3-15(9-14)23(27,28)34;23-22(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;1-2/h1-4,6,8-10H,5,7,11-12,34H2,(H2,29,33);3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31);1-2H3.
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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane?
7-[(2-cyclopropyl-4-pyridinyl)methyl]-4-[1-(difluoromethyl)pyrazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane has a molecular weight of 948.93 g/mol, XLogP of 9.04, 11 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-[3-[difluoro(phosphanyl)methyl]phenyl]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;ethane is sourced from PubChem (CID 145025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).