(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

C26H22ClFN4O2 — CID 90413770

IUPAC(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(c1cccc(F)c1)c1c[nH]c2ccc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)cc12
InChIInChI=1S/C26H22ClFN4O2/c27-22-14-31-24(32-26(34)17-4-2-8-29-12-17)11-19(22)15-6-7-23-20(10-15)21(13-30-23)25(33)16-3-1-5-18(28)9-16/h1,3,5-7,9-11,13-14,17,29-30H,2,4,8,12H2,(H,31,32,34)/t17-/m1/s1
InChIKeyZWYHZMOLXTVUTF-QGZVFWFLSA-N
MW476.94 g/mol
LogP5.19
Rot. Bonds5

About (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide

(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90413770) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90413770
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(c1cccc(F)c1)c1c[nH]c2ccc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)cc12
InChIInChI=1S/C26H22ClFN4O2/c27-22-14-31-24(32-26(34)17-4-2-8-29-12-17)11-19(22)15-6-7-23-20(10-15)21(13-30-23)25(33)16-3-1-5-18(28)9-16/h1,3,5-7,9-11,13-14,17,29-30H,2,4,8,12H2,(H,31,32,34)/t17-/m1/s1
InChIKeyZWYHZMOLXTVUTF-QGZVFWFLSA-N
XLogP5.19
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90413770) is (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(c1cccc(F)c1)c1c[nH]c2ccc(-c3cc(NC(=O)[C@@H]4CCCNC4)ncc3Cl)cc12.
What is the InChIKey of (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZWYHZMOLXTVUTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c27-22-14-31-24(32-26(34)17-4-2-8-29-12-17)11-19(22)15-6-7-23-20(10-15)21(13-30-23)25(33)16-3-1-5-18(28)9-16/h1,3,5-7,9-11,13-14,17,29-30H,2,4,8,12H2,(H,31,32,34)/t17-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide?
(3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-4-[3-(3-fluorobenzoyl)-1H-indol-5-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90413770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).