N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide

C26H26FN5O — CID 142580291

IUPACN-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
SMILESCc1nccc(N2CCCc3nc(C4(C(=O)Nc5ccc(F)cc5)CC5(CC5)C4)ccc32)n1
InChIInChI=1S/C26H26FN5O/c1-17-28-13-10-23(29-17)32-14-2-3-20-21(32)8-9-22(31-20)26(15-25(16-26)11-12-25)24(33)30-19-6-4-18(27)5-7-19/h4-10,13H,2-3,11-12,14-16H2,1H3,(H,30,33)
InChIKeyMTHHKOKJOQIFNY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.85
Rot. Bonds4

About N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide

N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide (PubChem CID 142580291) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
PubChem CID142580291
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC NameN-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
SMILESCc1nccc(N2CCCc3nc(C4(C(=O)Nc5ccc(F)cc5)CC5(CC5)C4)ccc32)n1
InChIInChI=1S/C26H26FN5O/c1-17-28-13-10-23(29-17)32-14-2-3-20-21(32)8-9-22(31-20)26(15-25(16-26)11-12-25)24(33)30-19-6-4-18(27)5-7-19/h4-10,13H,2-3,11-12,14-16H2,1H3,(H,30,33)
InChIKeyMTHHKOKJOQIFNY-UHFFFAOYSA-N
XLogP4.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-[1-(2-methylpyrimidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]spiro[2.3]hexane-5-carboxamide;2,2,2-trifluoroacetate
CID 158723765
4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580242
1-[3,3-difluoro-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone
CID 159186779
N-but-1-en-2-ylethanimine;N-(4-fluorophenyl)-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide;2,2,2-trifluoroacetaldehyde
CID 142580534
ethane;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580241
cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580380
N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
CID 155093046
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
2-[5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexan-5-yl]-3H-benzimidazole-5-carbonitrile
CID 167649569
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]cyclobutane-1-carboxamide
CID 164612087
2-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-3H-benzimidazole-5-carbonitrile
CID 164830715

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide (CID 142580291) is N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide is Cc1nccc(N2CCCc3nc(C4(C(=O)Nc5ccc(F)cc5)CC5(CC5)C4)ccc32)n1.
What is the InChIKey of N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide?
The InChIKey is MTHHKOKJOQIFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-17-28-13-10-23(29-17)32-14-2-3-20-21(32)8-9-22(31-20)26(15-25(16-26)11-12-25)24(33)30-19-6-4-18(27)5-7-19/h4-10,13H,2-3,11-12,14-16H2,1H3,(H,30,33).
What are the key properties of N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide?
N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 142580291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).