3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine

C19H22N4 — CID 148542218

IUPAC3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine
SMILESCN1CCC(Cc2cncc(-c3cnc4c(c3)C=CC4)n2)CC1
InChIInChI=1S/C19H22N4/c1-23-7-5-14(6-8-23)9-17-12-20-13-19(22-17)16-10-15-3-2-4-18(15)21-11-16/h2-3,10-14H,4-9H2,1H3
InChIKeyMSJWBVUMMJAWIJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.99
Rot. Bonds3

About 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine

3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine (PubChem CID 148542218) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine
PubChem CID148542218
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine
SMILESCN1CCC(Cc2cncc(-c3cnc4c(c3)C=CC4)n2)CC1
InChIInChI=1S/C19H22N4/c1-23-7-5-14(6-8-23)9-17-12-20-13-19(22-17)16-10-15-3-2-4-18(15)21-11-16/h2-3,10-14H,4-9H2,1H3
InChIKeyMSJWBVUMMJAWIJ-UHFFFAOYSA-N
XLogP2.99
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine (CID 148542218) is 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine is CN1CCC(Cc2cncc(-c3cnc4c(c3)C=CC4)n2)CC1.
What is the InChIKey of 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine?
The InChIKey is MSJWBVUMMJAWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-23-7-5-14(6-8-23)9-17-12-20-13-19(22-17)16-10-15-3-2-4-18(15)21-11-16/h2-3,10-14H,4-9H2,1H3.
What are the key properties of 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine?
3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 148542218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).