[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol

C25H26ClN7O — CID 137431727

IUPAC[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol
SMILESCN1CCC(NC(O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C25H26ClN7O/c1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17/h2-8,10,12-13,18,25,29,34H,9,11,14H2,1H3,(H2,27,30)(H,31,32)
InChIKeyQXMFJKYWDJMTID-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.58
Rot. Bonds6

About [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol

[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol (PubChem CID 137431727) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol.

Molecular Properties

Compound Name[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol
PubChem CID137431727
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol
SMILESCN1CCC(NC(O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1
InChIInChI=1S/C25H26ClN7O/c1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17/h2-8,10,12-13,18,25,29,34H,9,11,14H2,1H3,(H2,27,30)(H,31,32)
InChIKeyQXMFJKYWDJMTID-UHFFFAOYSA-N
XLogP3.58
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 137431006
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]-2,2-dimethylpropanamide
CID 137430477
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 137431124
5-(8-chloroquinolin-6-yl)-3,6-diphenylpyrazin-2-amine
CID 137431685
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-pyridin-3-ylpyrazine-2,3-diamine
CID 137431844
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
4-[[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 137431848
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688

Frequently Asked Questions

What is the IUPAC name of [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol?
The IUPAC name of [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol (CID 137431727) is [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol.
What is the SMILES notation for [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol?
The canonical SMILES for [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol is CN1CCC(NC(O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)C1.
What is the InChIKey of [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol?
The InChIKey is QXMFJKYWDJMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-33-11-9-18(14-33)29-25(34)32-24-23(27)30-21(15-6-3-2-4-7-15)22(31-24)17-12-16-8-5-10-28-20(16)19(26)13-17/h2-8,10,12-13,18,25,29,34H,9,11,14H2,1H3,(H2,27,30)(H,31,32).
What are the key properties of [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol?
[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol has a molecular weight of 475.98 g/mol, XLogP of 3.58, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]amino]-[(1-methylpyrrolidin-3-yl)amino]methanol is sourced from PubChem (CID 137431727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).