7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C26H30ClN7O — CID 142464413

IUPAC7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1Cl
InChIInChI=1S/C26H30ClN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3
InChIKeyVEXUSWGHKPSJAD-UHFFFAOYSA-N
MW492.03 g/mol
LogP3.82
Rot. Bonds4

About 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464413) has the molecular formula C26H30ClN7O and a molecular weight of 492.03 g/mol. Its IUPAC name is 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464413
Molecular FormulaC26H30ClN7O
Molecular Weight492.03 g/mol
Exact Mass491.22
IUPAC Name7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1Cl
InChIInChI=1S/C26H30ClN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3
InChIKeyVEXUSWGHKPSJAD-UHFFFAOYSA-N
XLogP3.82
TPSA62.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Ker-047
CID 142464264
[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11524582
(4-Benzyloxy-3-chloro-phenyl)-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11625514
5-[(4-aminopiperidin-1-yl)methyl]-N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22055240
7-Chloro-4-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223300
7-(8-Azabicyclo[3.2.1]oct-3-yl)-3-(4-chloro-3-methoxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 44226026
3-(4-Chloro-3-methoxyphenyl)-7-(8-ethyl-8-azabicyclo[3.2.1]oct-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 44226027
3-(4-Chloro-3-methoxyphenyl)-7-(4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226448
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 53322058
1-(5-chloro-1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-6-methoxy-3,4-dihydro-2H-quinoline
CID 139463194
7-Chloro-4-imidazol-1-yl-6-methoxyquinoline
CID 153635169
7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenoxymethyl]-phenyl}-vinyl)-quinoline
CID 9870702

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464413) is 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is VEXUSWGHKPSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3.
What are the key properties of 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 492.03 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).