2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide

C24H23F2N5O2 — CID 58432223

IUPAC2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCC(Oc2ccc3c(c2)N=C(c2[nH]ncc2NC(=O)c2c(F)cccc2F)C3)CC1
InChIInChI=1S/C24H23F2N5O2/c1-31-9-7-15(8-10-31)33-16-6-5-14-11-20(28-19(14)12-16)23-21(13-27-30-23)29-24(32)22-17(25)3-2-4-18(22)26/h2-6,12-13,15H,7-11H2,1H3,(H,27,30)(H,29,32)
InChIKeyXEHLCNMTBAXCRJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.09
Rot. Bonds5

About 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide

2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 58432223) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID58432223
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCN1CCC(Oc2ccc3c(c2)N=C(c2[nH]ncc2NC(=O)c2c(F)cccc2F)C3)CC1
InChIInChI=1S/C24H23F2N5O2/c1-31-9-7-15(8-10-31)33-16-6-5-14-11-20(28-19(14)12-16)23-21(13-27-30-23)29-24(32)22-17(25)3-2-4-18(22)26/h2-6,12-13,15H,7-11H2,1H3,(H,27,30)(H,29,32)
InChIKeyXEHLCNMTBAXCRJ-UHFFFAOYSA-N
XLogP4.09
TPSA82.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16191587
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49792638
N-(1-{[(2,6-dimethylphenyl)amino]carbonyl}cyclohexyl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 1205217
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 16028240
N-{2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}-3,4-difluorobenzamide
CID 91892750
3-(5-fluoro-2-propoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49790675
{5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl}{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
CID 19584705
N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-piperidin-1-ylbenzamide
CID 156574661
5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 156574662
5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 156574663
N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide
CID 156574676
5-fluoro-N-[[3-(5-fluoro-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 156574681

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 58432223) is 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide is CN1CCC(Oc2ccc3c(c2)N=C(c2[nH]ncc2NC(=O)c2c(F)cccc2F)C3)CC1.
What is the InChIKey of 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is XEHLCNMTBAXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-31-9-7-15(8-10-31)33-16-6-5-14-11-20(28-19(14)12-16)23-21(13-27-30-23)29-24(32)22-17(25)3-2-4-18(22)26/h2-6,12-13,15H,7-11H2,1H3,(H,27,30)(H,29,32).
What are the key properties of 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide?
2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 451.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[6-(1-methylpiperidin-4-yl)oxy-3H-indol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 58432223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).