(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

C26H26ClFN4O — CID 86299288

IUPAC(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)N(Cc2cccc(F)c2)CC3)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C26H26ClFN4O/c27-23-15-30-25(31-26(33)20-4-2-9-29-14-20)13-22(23)19-7-6-18-8-10-32(24(18)12-19)16-17-3-1-5-21(28)11-17/h1,3,5-7,11-13,15,20,29H,2,4,8-10,14,16H2,(H,30,31,33)/t20-/m1/s1
InChIKeyRSRGXQKAQCGBBZ-HXUWFJFHSA-N
MW464.97 g/mol
LogP5.04
Rot. Bonds5

About (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86299288) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86299288
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)N(Cc2cccc(F)c2)CC3)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C26H26ClFN4O/c27-23-15-30-25(31-26(33)20-4-2-9-29-14-20)13-22(23)19-7-6-18-8-10-32(24(18)12-19)16-17-3-1-5-21(28)11-17/h1,3,5-7,11-13,15,20,29H,2,4,8-10,14,16H2,(H,30,31,33)/t20-/m1/s1
InChIKeyRSRGXQKAQCGBBZ-HXUWFJFHSA-N
XLogP5.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 86299288) is (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3c(c2)N(Cc2cccc(F)c2)CC3)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is RSRGXQKAQCGBBZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26ClFN4O/c27-23-15-30-25(31-26(33)20-4-2-9-29-14-20)13-22(23)19-7-6-18-8-10-32(24(18)12-19)16-17-3-1-5-21(28)11-17/h1,3,5-7,11-13,15,20,29H,2,4,8-10,14,16H2,(H,30,31,33)/t20-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 464.97 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86299288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).