[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone

C22H25N5O2 — CID 126790879

IUPAC[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3ncccc3OCc3ccncc3)CC2)cn1
InChIInChI=1S/C22H25N5O2/c1-2-27-15-19(14-25-27)18-7-12-26(13-8-18)22(28)21-20(4-3-9-24-21)29-16-17-5-10-23-11-6-17/h3-6,9-11,14-15,18H,2,7-8,12-13,16H2,1H3
InChIKeyCZLVNJSPAXBAJA-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.29
Rot. Bonds6

About [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone (PubChem CID 126790879) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
PubChem CID126790879
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
SMILESCCn1cc(C2CCN(C(=O)c3ncccc3OCc3ccncc3)CC2)cn1
InChIInChI=1S/C22H25N5O2/c1-2-27-15-19(14-25-27)18-7-12-26(13-8-18)22(28)21-20(4-3-9-24-21)29-16-17-5-10-23-11-6-17/h3-6,9-11,14-15,18H,2,7-8,12-13,16H2,1H3
InChIKeyCZLVNJSPAXBAJA-UHFFFAOYSA-N
XLogP3.29
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone with MolForge

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Related Compounds

[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 124613022
1,4-diazepan-1-yl-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 122147492
[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
CID 126785476
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873901
2-[2-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 120549869
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70718443
4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
CID 84599768
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 166227834

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone (CID 126790879) is [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone is CCn1cc(C2CCN(C(=O)c3ncccc3OCc3ccncc3)CC2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The InChIKey is CZLVNJSPAXBAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-27-15-19(14-25-27)18-7-12-26(13-8-18)22(28)21-20(4-3-9-24-21)29-16-17-5-10-23-11-6-17/h3-6,9-11,14-15,18H,2,7-8,12-13,16H2,1H3.
What are the key properties of [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 126790879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).