[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C20H23N5O3 — CID 126441634

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(CCO)cn2n1)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C20H23N5O3/c26-9-6-15-11-22-19-10-18(23-25(19)12-15)20(27)24-8-3-5-17(13-24)28-14-16-4-1-2-7-21-16/h1-2,4,7,10-12,17,26H,3,5-6,8-9,13-14H2/t17-/m1/s1
InChIKeyGWWYLRGAAYWCRZ-QGZVFWFLSA-N
MW381.44 g/mol
LogP1.48
Rot. Bonds6

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 126441634) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID126441634
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ncc(CCO)cn2n1)N1CCC[C@@H](OCc2ccccn2)C1
InChIInChI=1S/C20H23N5O3/c26-9-6-15-11-22-19-10-18(23-25(19)12-15)20(27)24-8-3-5-17(13-24)28-14-16-4-1-2-7-21-16/h1-2,4,7,10-12,17,26H,3,5-6,8-9,13-14H2/t17-/m1/s1
InChIKeyGWWYLRGAAYWCRZ-QGZVFWFLSA-N
XLogP1.48
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97142061
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97137325
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 42099202
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70730800

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 126441634) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cc2ncc(CCO)cn2n1)N1CCC[C@@H](OCc2ccccn2)C1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is GWWYLRGAAYWCRZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-9-6-15-11-22-19-10-18(23-25(19)12-15)20(27)24-8-3-5-17(13-24)28-14-16-4-1-2-7-21-16/h1-2,4,7,10-12,17,26H,3,5-6,8-9,13-14H2/t17-/m1/s1.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 381.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 126441634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).