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

C25H28ClN7 — CID 142464385

IUPAC7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(Cl)ccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H28ClN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3
InChIKeyLLHZYQBBDZWNAT-UHFFFAOYSA-N
MW462.00 g/mol
LogP3.81
Rot. Bonds3

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

7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 142464385) has the molecular formula C25H28ClN7 and a molecular weight of 462.00 g/mol. Its IUPAC name is 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID142464385
Molecular FormulaC25H28ClN7
Molecular Weight462.00 g/mol
Exact Mass461.21
IUPAC Name7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(Cl)ccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C25H28ClN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3
InChIKeyLLHZYQBBDZWNAT-UHFFFAOYSA-N
XLogP3.81
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo pyrimidine, 5k
CID 25196900
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
Pde2/pde10-IN-1
CID 71295299
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981589
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 142464385) is 7-chloro-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-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(Cl)ccc56)cnn4c3)CC2)CC1.
What is the InChIKey of 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is LLHZYQBBDZWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7/c1-30-10-12-32(13-11-30)19-5-8-31(9-6-19)20-15-28-25-23(16-29-33(25)17-20)21-4-7-27-24-14-18(26)2-3-22(21)24/h2-4,7,14-17,19H,5-6,8-13H2,1H3.
What are the key properties of 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 462.00 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 142464385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).