(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C17H22N6O2 — CID 53185862

IUPAC(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H22N6O2/c1-21-14(4-6-20-21)17(24)23-9-5-13(11-23)25-16-10-15(18-12-19-16)22-7-2-3-8-22/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3
InChIKeyVEQULPXEEPSRQU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.10
Rot. Bonds4

About (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 53185862) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID53185862
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H22N6O2/c1-21-14(4-6-20-21)17(24)23-9-5-13(11-23)25-16-10-15(18-12-19-16)22-7-2-3-8-22/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3
InChIKeyVEQULPXEEPSRQU-UHFFFAOYSA-N
XLogP1.10
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-{[(3S)-1-{[1-(1-methylethyl)-1H-pyrazol-5-yl]carbonyl}pyrrolidin-3-yl]oxy}-9H-purine
CID 90166513
8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({(3S)-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]pyrrolidin-3-yl}oxy)-9H-purine
CID 90166585
8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-6-({(3S)-1-[(1-methyl-1H-pyrazol-3-yl)carbonyl]pyrrolidin-3-yl}oxy)-9H-purine
CID 90166603
9-ethyl-6-({(3S)-1-[(1-methyl-1H-pyrazol-3-yl)carbonyl]pyrrolidin-3-yl}oxy)-8-(2-methylpyrimidin-5-yl)-9H-purine
CID 90166655
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53585906
N,N-Dimethyl-3-{[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}pyrazin-2-amine
CID 91914174
(3-{[6-(Dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53185838
4-{[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}-6-(pyrrolidin-1-YL)pyrimidine
CID 53185863
(1-ethyl-1H-pyrazol-3-yl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185864
(1-Methyl-1H-pyrazol-5-YL)(3-{[3-(4-morpholinyl)-2-pyrazinyl]oxy}-1-pyrrolidinyl)methanone
CID 91914182
N-Methyl-3-{[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}-N-propylpyrazin-2-amine
CID 91914192

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 53185862) is (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is VEQULPXEEPSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21-14(4-6-20-21)17(24)23-9-5-13(11-23)25-16-10-15(18-12-19-16)22-7-2-3-8-22/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 53185862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).