N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide

C23H22FN5O — CID 75528427

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H22FN5O/c24-18-4-1-15(2-5-18)21-14-22(28-27-21)29-11-8-19(9-12-29)26-23(30)17-3-6-20-16(13-17)7-10-25-20/h1-7,10,13-14,19,25H,8-9,11-12H2,(H,26,30)(H,27,28)
InChIKeyUMYWGNKMJXFBJI-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.10
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide (PubChem CID 75528427) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide
PubChem CID75528427
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H22FN5O/c24-18-4-1-15(2-5-18)21-14-22(28-27-21)29-11-8-19(9-12-29)26-23(30)17-3-6-20-16(13-17)7-10-25-20/h1-7,10,13-14,19,25H,8-9,11-12H2,(H,26,30)(H,27,28)
InChIKeyUMYWGNKMJXFBJI-UHFFFAOYSA-N
XLogP4.10
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide (CID 75528427) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
The InChIKey is UMYWGNKMJXFBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-18-4-1-15(2-5-18)21-14-22(28-27-21)29-11-8-19(9-12-29)26-23(30)17-3-6-20-16(13-17)7-10-25-20/h1-7,10,13-14,19,25H,8-9,11-12H2,(H,26,30)(H,27,28).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 75528427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).