5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C22H21ClN6O — CID 137430325

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H21ClN6O/c1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26)
InChIKeyKMNSTMFVWJIMLD-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.65
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430325) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430325
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H21ClN6O/c1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26)
InChIKeyKMNSTMFVWJIMLD-UHFFFAOYSA-N
XLogP4.65
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430325) is 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is KMNSTMFVWJIMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 420.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).