1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine

C17H25N5O2 — CID 178069702

IUPAC1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine
SMILESC1=NC=C(OC2CCNCC2)N(c2cc([C@@H]3CCCOC3)[nH]n2)C1
InChIInChI=1S/C17H25N5O2/c1-2-13(12-23-9-1)15-10-16(21-20-15)22-8-7-19-11-17(22)24-14-3-5-18-6-4-14/h7,10-11,13-14,18H,1-6,8-9,12H2,(H,20,21)/t13-/m1/s1
InChIKeyNKFKLNPVYHKUAU-CYBMUJFWSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds4

About 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine

1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine (PubChem CID 178069702) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine.

Molecular Properties

Compound Name1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine
PubChem CID178069702
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine
SMILESC1=NC=C(OC2CCNCC2)N(c2cc([C@@H]3CCCOC3)[nH]n2)C1
InChIInChI=1S/C17H25N5O2/c1-2-13(12-23-9-1)15-10-16(21-20-15)22-8-7-19-11-17(22)24-14-3-5-18-6-4-14/h7,10-11,13-14,18H,1-6,8-9,12H2,(H,20,21)/t13-/m1/s1
InChIKeyNKFKLNPVYHKUAU-CYBMUJFWSA-N
XLogP1.76
TPSA74.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine?
The IUPAC name of 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine (CID 178069702) is 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine.
What is the SMILES notation for 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine?
The canonical SMILES for 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine is C1=NC=C(OC2CCNCC2)N(c2cc([C@@H]3CCCOC3)[nH]n2)C1.
What is the InChIKey of 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine?
The InChIKey is NKFKLNPVYHKUAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-13(12-23-9-1)15-10-16(21-20-15)22-8-7-19-11-17(22)24-14-3-5-18-6-4-14/h7,10-11,13-14,18H,1-6,8-9,12H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine?
1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine has a molecular weight of 331.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3S)-oxan-3-yl]-1H-pyrazol-3-yl]-6-piperidin-4-yloxy-2H-pyrazine is sourced from PubChem (CID 178069702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).