N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide

C26H24FN3O3 — CID 122655112

IUPACN-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(c1cccc2c1CCN2)N(C[C@@H](O)CF)c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H24FN3O3/c27-15-20(31)16-30(26(32)22-2-1-3-23-21(22)7-10-28-23)25-14-18(6-9-29-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,28,31H,7,10,12,15-16H2/t20-/m0/s1
InChIKeyKNLVKHGTQSUGFZ-FQEVSTJZSA-N
MW445.49 g/mol
LogP4.36
Rot. Bonds7

About N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide

N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655112) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655112
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC NameN-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(c1cccc2c1CCN2)N(C[C@@H](O)CF)c1cc(Cc2ccc3occc3c2)ccn1
InChIInChI=1S/C26H24FN3O3/c27-15-20(31)16-30(26(32)22-2-1-3-23-21(22)7-10-28-23)25-14-18(6-9-29-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,28,31H,7,10,12,15-16H2/t20-/m0/s1
InChIKeyKNLVKHGTQSUGFZ-FQEVSTJZSA-N
XLogP4.36
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122655112) is N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(c1cccc2c1CCN2)N(C[C@@H](O)CF)c1cc(Cc2ccc3occc3c2)ccn1.
What is the InChIKey of N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is KNLVKHGTQSUGFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H24FN3O3/c27-15-20(31)16-30(26(32)22-2-1-3-23-21(22)7-10-28-23)25-14-18(6-9-29-25)12-17-4-5-24-19(13-17)8-11-33-24/h1-6,8-9,11,13-14,20,28,31H,7,10,12,15-16H2/t20-/m0/s1.
What are the key properties of N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide?
N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-N-[(2R)-3-fluoro-2-hydroxypropyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).