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

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

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Related Compounds

5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
CID 82408330
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
5-(oxan-3-yl)-1H-pyrazol-4-amine
CID 154928122
6-methyl-3-piperidin-4-yloxy-1H-indazole
CID 84694852
1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033141

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).