[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

C17H20FN5O2 — CID 146039567

IUPAC[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3c2COCC3)CCN1c1ccc(F)cn1
InChIInChI=1S/C17H20FN5O2/c1-11-9-22(5-6-23(11)15-3-2-12(18)8-19-15)17(24)16-13-10-25-7-4-14(13)20-21-16/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21)
InChIKeyWEGKRYGJODAQBG-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.37
Rot. Bonds2

About [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 146039567) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID146039567
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2n[nH]c3c2COCC3)CCN1c1ccc(F)cn1
InChIInChI=1S/C17H20FN5O2/c1-11-9-22(5-6-23(11)15-3-2-12(18)8-19-15)17(24)16-13-10-25-7-4-14(13)20-21-16/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21)
InChIKeyWEGKRYGJODAQBG-UHFFFAOYSA-N
XLogP1.37
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (CID 146039567) is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is CC1CN(C(=O)c2n[nH]c3c2COCC3)CCN1c1ccc(F)cn1.
What is the InChIKey of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is WEGKRYGJODAQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-11-9-22(5-6-23(11)15-3-2-12(18)8-19-15)17(24)16-13-10-25-7-4-14(13)20-21-16/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,21).
What are the key properties of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 146039567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).