(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone

C19H21N5O2 — CID 110132803

IUPAC(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCC(c2ccn3nccc3n2)CC1
InChIInChI=1S/C19H21N5O2/c1-2-26-18-15(4-3-9-20-18)19(25)23-11-6-14(7-12-23)16-8-13-24-17(22-16)5-10-21-24/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3
InChIKeyACBJBZVZMCTRPG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.54
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone

(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone (PubChem CID 110132803) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
PubChem CID110132803
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCC(c2ccn3nccc3n2)CC1
InChIInChI=1S/C19H21N5O2/c1-2-26-18-15(4-3-9-20-18)19(25)23-11-6-14(7-12-23)16-8-13-24-17(22-16)5-10-21-24/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3
InChIKeyACBJBZVZMCTRPG-UHFFFAOYSA-N
XLogP2.54
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
(2-ethoxy-3-pyridinyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147136
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone (CID 110132803) is (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone is CCOc1ncccc1C(=O)N1CCC(c2ccn3nccc3n2)CC1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
The InChIKey is ACBJBZVZMCTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-26-18-15(4-3-9-20-18)19(25)23-11-6-14(7-12-23)16-8-13-24-17(22-16)5-10-21-24/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone?
(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110132803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).