1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide

C25H20FN5O — CID 71656354

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)Nc4cccnc4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C25H20FN5O/c1-30-14-19(12-28-30)17-8-9-18(23(26)11-17)15-31-16-22(21-6-2-3-7-24(21)31)25(32)29-20-5-4-10-27-13-20/h2-14,16H,15H2,1H3,(H,29,32)
InChIKeyFHGKHCHBRQKSMJ-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.88
Rot. Bonds5

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide (PubChem CID 71656354) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
PubChem CID71656354
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)Nc4cccnc4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C25H20FN5O/c1-30-14-19(12-28-30)17-8-9-18(23(26)11-17)15-31-16-22(21-6-2-3-7-24(21)31)25(32)29-20-5-4-10-27-13-20/h2-14,16H,15H2,1H3,(H,29,32)
InChIKeyFHGKHCHBRQKSMJ-UHFFFAOYSA-N
XLogP4.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
1-[[2-fluoro-4-(1-iodopyrazol-4-yl)phenyl]methyl]-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 146910491
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
CID 144813189
6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
CID 110188945
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
CID 121452338
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[3,4-b]pyrazine-8-carboxamide
CID 162772267
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
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
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
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385071

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide (CID 71656354) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)Nc4cccnc4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide?
The InChIKey is FHGKHCHBRQKSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-30-14-19(12-28-30)17-8-9-18(23(26)11-17)15-31-16-22(21-6-2-3-7-24(21)31)25(32)29-20-5-4-10-27-13-20/h2-14,16H,15H2,1H3,(H,29,32).
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide is sourced from PubChem (CID 71656354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).