N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

C22H20FN5O — CID 91888051

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H20FN5O/c23-16-7-5-14(6-8-16)19-12-21(27-26-19)28-10-9-17(13-28)24-22(29)20-11-15-3-1-2-4-18(15)25-20/h1-8,11-12,17,25H,9-10,13H2,(H,24,29)(H,26,27)
InChIKeySVDXGIUQPDLMCI-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.71
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 91888051) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID91888051
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H20FN5O/c23-16-7-5-14(6-8-16)19-12-21(27-26-19)28-10-9-17(13-28)24-22(29)20-11-15-3-1-2-4-18(15)25-20/h1-8,11-12,17,25H,9-10,13H2,(H,24,29)(H,26,27)
InChIKeySVDXGIUQPDLMCI-UHFFFAOYSA-N
XLogP3.71
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.71
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]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 91888051) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is SVDXGIUQPDLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-16-7-5-14(6-8-16)19-12-21(27-26-19)28-10-9-17(13-28)24-22(29)20-11-15-3-1-2-4-18(15)25-20/h1-8,11-12,17,25H,9-10,13H2,(H,24,29)(H,26,27).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.71, 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]pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91888051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).