1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide

C27H26FN3O2 — CID 118266817

IUPAC1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)c(F)c4ccccc34)cc2)cn1
InChIInChI=1S/C27H26FN3O2/c1-31-17-21(16-29-31)19-8-6-18(7-9-19)14-20-15-25(26(28)24-5-3-2-4-23(20)24)27(32)30-22-10-12-33-13-11-22/h2-9,15-17,22H,10-14H2,1H3,(H,30,32)
InChIKeySXNQKBYSKAJUKM-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.88
Rot. Bonds5

About 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide

1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide (PubChem CID 118266817) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
PubChem CID118266817
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)c(F)c4ccccc34)cc2)cn1
InChIInChI=1S/C27H26FN3O2/c1-31-17-21(16-29-31)19-8-6-18(7-9-19)14-20-15-25(26(28)24-5-3-2-4-23(20)24)27(32)30-22-10-12-33-13-11-22/h2-9,15-17,22H,10-14H2,1H3,(H,30,32)
InChIKeySXNQKBYSKAJUKM-UHFFFAOYSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-(oxan-3-yl)naphthalene-2-carboxamide
CID 123348184
N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 142297464
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312591
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 122668773
N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide
CID 142567260
(E)-2-(3,6-difluoro-2-methylphenyl)-N-(oxan-4-yl)but-2-enamide;4-(4-ethylphenyl)-1-methylpyrazole
CID 144813172
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
CID 154576814
N-[(1R,2R)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155133238
N-[(1S,2S)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155125003
7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
CID 146549989
N-[(1S,2S)-2-hydroxycyclohexyl]-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312590

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The IUPAC name of 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide (CID 118266817) is 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)c(F)c4ccccc34)cc2)cn1.
What is the InChIKey of 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The InChIKey is SXNQKBYSKAJUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-31-17-21(16-29-31)19-8-6-18(7-9-19)14-20-15-25(26(28)24-5-3-2-4-23(20)24)27(32)30-22-10-12-33-13-11-22/h2-9,15-17,22H,10-14H2,1H3,(H,30,32).
What are the key properties of 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 118266817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).