[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C18H24N6O — CID 95603700

IUPAC[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C18H24N6O/c25-18(24-11-2-5-16(24)14-23-10-3-6-21-23)15-4-1-9-22(13-15)17-12-19-7-8-20-17/h3,6-8,10,12,15-16H,1-2,4-5,9,11,13-14H2/t15-,16-/m1/s1
InChIKeyIBOATHZTHUBEKW-HZPDHXFCSA-N
MW340.43 g/mol
LogP1.58
Rot. Bonds4

About [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95603700) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95603700
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C18H24N6O/c25-18(24-11-2-5-16(24)14-23-10-3-6-21-23)15-4-1-9-22(13-15)17-12-19-7-8-20-17/h3,6-8,10,12,15-16H,1-2,4-5,9,11,13-14H2/t15-,16-/m1/s1
InChIKeyIBOATHZTHUBEKW-HZPDHXFCSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272185
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 95579135
(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675
[(3R)-oxolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603909
(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603962

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95603700) is [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IBOATHZTHUBEKW-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(24-11-2-5-16(24)14-23-10-3-6-21-23)15-4-1-9-22(13-15)17-12-19-7-8-20-17/h3,6-8,10,12,15-16H,1-2,4-5,9,11,13-14H2/t15-,16-/m1/s1.
What are the key properties of [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95603700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).