4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide

C25H24F2N4O2 — CID 144813189

IUPAC4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCOC4)c4c(F)cccc43)c(F)c2)cn1
InChIInChI=1S/C25H24F2N4O2/c1-30-12-18(11-28-30)16-7-8-17(22(27)10-16)13-31-14-20(24-21(26)5-2-6-23(24)31)25(32)29-19-4-3-9-33-15-19/h2,5-8,10-12,14,19H,3-4,9,13,15H2,1H3,(H,29,32)/t19-/m1/s1
InChIKeyBCGPAUWLSOOQHL-LJQANCHMSA-N
MW450.49 g/mol
LogP4.28
Rot. Bonds5

About 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide

4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide (PubChem CID 144813189) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
PubChem CID144813189
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCOC4)c4c(F)cccc43)c(F)c2)cn1
InChIInChI=1S/C25H24F2N4O2/c1-30-12-18(11-28-30)16-7-8-17(22(27)10-16)13-31-14-20(24-21(26)5-2-6-23(24)31)25(32)29-19-4-3-9-33-15-19/h2,5-8,10-12,14,19H,3-4,9,13,15H2,1H3,(H,29,32)/t19-/m1/s1
InChIKeyBCGPAUWLSOOQHL-LJQANCHMSA-N
XLogP4.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 122413548
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836
4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 140797941
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
5-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 162772141
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
1-[(2,5-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312869
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
CID 71656354
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide (CID 144813189) is 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCCOC4)c4c(F)cccc43)c(F)c2)cn1.
What is the InChIKey of 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide?
The InChIKey is BCGPAUWLSOOQHL-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-30-12-18(11-28-30)16-7-8-17(22(27)10-16)13-31-14-20(24-21(26)5-2-6-23(24)31)25(32)29-19-4-3-9-33-15-19/h2,5-8,10-12,14,19H,3-4,9,13,15H2,1H3,(H,29,32)/t19-/m1/s1.
What are the key properties of 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide?
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide is sourced from PubChem (CID 144813189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).