[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol

C17H15ClN4O — CID 167945323

IUPAC[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol
SMILESOCc1cc(Cl)cc(NCc2cnc(-c3ccccc3)cn2)n1
InChIInChI=1S/C17H15ClN4O/c18-13-6-14(11-23)22-17(7-13)21-9-15-8-20-16(10-19-15)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,21,22)
InChIKeyYQOSLZWBCZDPSZ-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.30
Rot. Bonds5

About [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol

[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol (PubChem CID 167945323) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol
PubChem CID167945323
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol
SMILESOCc1cc(Cl)cc(NCc2cnc(-c3ccccc3)cn2)n1
InChIInChI=1S/C17H15ClN4O/c18-13-6-14(11-23)22-17(7-13)21-9-15-8-20-16(10-19-15)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,21,22)
InChIKeyYQOSLZWBCZDPSZ-UHFFFAOYSA-N
XLogP3.30
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol?
The IUPAC name of [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol (CID 167945323) is [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol is OCc1cc(Cl)cc(NCc2cnc(-c3ccccc3)cn2)n1.
What is the InChIKey of [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol?
The InChIKey is YQOSLZWBCZDPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-6-14(11-23)22-17(7-13)21-9-15-8-20-16(10-19-15)12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,21,22).
What are the key properties of [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol?
[4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol has a molecular weight of 326.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[(5-phenylpyrazin-2-yl)methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 167945323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).