[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone

C19H23FN6O2 — CID 134536506

IUPAC[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOc1nccc(N2CCC(C(=O)N3N=CC[C@H]3C3C=NC=C(F)C3)CC2)n1
InChIInChI=1S/C19H23FN6O2/c1-28-19-22-6-3-17(24-19)25-8-4-13(5-9-25)18(27)26-16(2-7-23-26)14-10-15(20)12-21-11-14/h3,6-7,11-14,16H,2,4-5,8-10H2,1H3/t14?,16-/m0/s1
InChIKeyAEYQUUSHPBVPLZ-WMCAAGNKSA-N
MW386.43 g/mol
LogP2.19
Rot. Bonds4

About [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone

[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 134536506) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID134536506
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCOc1nccc(N2CCC(C(=O)N3N=CC[C@H]3C3C=NC=C(F)C3)CC2)n1
InChIInChI=1S/C19H23FN6O2/c1-28-19-22-6-3-17(24-19)25-8-4-13(5-9-25)18(27)26-16(2-7-23-26)14-10-15(20)12-21-11-14/h3,6-7,11-14,16H,2,4-5,8-10H2,1H3/t14?,16-/m0/s1
InChIKeyAEYQUUSHPBVPLZ-WMCAAGNKSA-N
XLogP2.19
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
CID 146237518
[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 134521628
S-(4-fluorophenyl) N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamothioate
CID 118191153
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
N-(2-ethylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189238
[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521427
N-(4-methoxy-2-methylphenyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189262
5-(2-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carbonyl chloride
CID 155273088
[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134522247

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone (CID 134536506) is [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone is COc1nccc(N2CCC(C(=O)N3N=CC[C@H]3C3C=NC=C(F)C3)CC2)n1.
What is the InChIKey of [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is AEYQUUSHPBVPLZ-WMCAAGNKSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-28-19-22-6-3-17(24-19)25-8-4-13(5-9-25)18(27)26-16(2-7-23-26)14-10-15(20)12-21-11-14/h3,6-7,11-14,16H,2,4-5,8-10H2,1H3/t14?,16-/m0/s1.
What are the key properties of [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone?
[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 386.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 134536506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).