1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C20H21ClN6O — CID 146485855

IUPAC1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cnc2c(c1)C(N)C1(CCN(c3cnc4nc(Cl)ccc4n3)CC1)C2
InChIInChI=1S/C20H21ClN6O/c1-28-12-8-13-15(23-10-12)9-20(18(13)22)4-6-27(7-5-20)17-11-24-19-14(25-17)2-3-16(21)26-19/h2-3,8,10-11,18H,4-7,9,22H2,1H3
InChIKeySLUZZVFGAKIWPO-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.92
Rot. Bonds2

About 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146485855) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID146485855
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cnc2c(c1)C(N)C1(CCN(c3cnc4nc(Cl)ccc4n3)CC1)C2
InChIInChI=1S/C20H21ClN6O/c1-28-12-8-13-15(23-10-12)9-20(18(13)22)4-6-27(7-5-20)17-11-24-19-14(25-17)2-3-16(21)26-19/h2-3,8,10-11,18H,4-7,9,22H2,1H3
InChIKeySLUZZVFGAKIWPO-UHFFFAOYSA-N
XLogP2.92
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146485855) is 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is COc1cnc2c(c1)C(N)C1(CCN(c3cnc4nc(Cl)ccc4n3)CC1)C2.
What is the InChIKey of 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is SLUZZVFGAKIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-28-12-8-13-15(23-10-12)9-20(18(13)22)4-6-27(7-5-20)17-11-24-19-14(25-17)2-3-16(21)26-19/h2-3,8,10-11,18H,4-7,9,22H2,1H3.
What are the key properties of 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 396.88 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146485855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).