(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C20H21ClFN5O — CID 96557184

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C20H21ClFN5O/c21-18-5-6-19(26-25-18)27-9-1-2-14(12-27)20(28)23-8-7-13-11-24-17-4-3-15(22)10-16(13)17/h3-6,10-11,14,24H,1-2,7-9,12H2,(H,23,28)/t14-/m1/s1
InChIKeyBLOUOTFOELBWPD-CQSZACIVSA-N
MW401.87 g/mol
LogP3.33
Rot. Bonds5

About (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 96557184) has the molecular formula C20H21ClFN5O and a molecular weight of 401.87 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID96557184
Molecular FormulaC20H21ClFN5O
Molecular Weight401.87 g/mol
Exact Mass401.14
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C20H21ClFN5O/c21-18-5-6-19(26-25-18)27-9-1-2-14(12-27)20(28)23-8-7-13-11-24-17-4-3-15(22)10-16(13)17/h3-6,10-11,14,24H,1-2,7-9,12H2,(H,23,28)/t14-/m1/s1
InChIKeyBLOUOTFOELBWPD-CQSZACIVSA-N
XLogP3.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96556893
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94161671
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105209
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 96557184) is (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is BLOUOTFOELBWPD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClFN5O/c21-18-5-6-19(26-25-18)27-9-1-2-14(12-27)20(28)23-8-7-13-11-24-17-4-3-15(22)10-16(13)17/h3-6,10-11,14,24H,1-2,7-9,12H2,(H,23,28)/t14-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 401.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 96557184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).