N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine

C19H22N6O2 — CID 141463301

IUPACN-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1-c1cc(Nc2cnccn2)n[nH]1
InChIInChI=1S/C19H22N6O2/c1-26-17-10-14(27-13-4-6-20-7-5-13)2-3-15(17)16-11-18(25-24-16)23-19-12-21-8-9-22-19/h2-3,8-13,20H,4-7H2,1H3,(H2,22,23,24,25)
InChIKeyYXLVPGHSFVYCCS-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.75
Rot. Bonds6

About N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine

N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine (PubChem CID 141463301) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine
PubChem CID141463301
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine
SMILESCOc1cc(OC2CCNCC2)ccc1-c1cc(Nc2cnccn2)n[nH]1
InChIInChI=1S/C19H22N6O2/c1-26-17-10-14(27-13-4-6-20-7-5-13)2-3-15(17)16-11-18(25-24-16)23-19-12-21-8-9-22-19/h2-3,8-13,20H,4-7H2,1H3,(H2,22,23,24,25)
InChIKeyYXLVPGHSFVYCCS-UHFFFAOYSA-N
XLogP2.75
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine?
The IUPAC name of N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine (CID 141463301) is N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine is COc1cc(OC2CCNCC2)ccc1-c1cc(Nc2cnccn2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine?
The InChIKey is YXLVPGHSFVYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-17-10-14(27-13-4-6-20-7-5-13)2-3-15(17)16-11-18(25-24-16)23-19-12-21-8-9-22-19/h2-3,8-13,20H,4-7H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine?
N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]pyrazin-2-amine is sourced from PubChem (CID 141463301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).