4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline

C20H20N6 — CID 59860128

IUPAC4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
SMILESCN1CCN(c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)CC1
InChIInChI=1S/C20H20N6/c1-25-6-8-26(9-7-25)19-4-5-21-18-3-2-14(11-17(18)19)15-10-16-13-23-24-20(16)22-12-15/h2-5,10-13H,6-9H2,1H3,(H,22,23,24)
InChIKeyGFHCWNBKHSTCHW-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.92
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline (PubChem CID 59860128) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
PubChem CID59860128
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
SMILESCN1CCN(c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)CC1
InChIInChI=1S/C20H20N6/c1-25-6-8-26(9-7-25)19-4-5-21-18-3-2-14(11-17(18)19)15-10-16-13-23-24-20(16)22-12-15/h2-5,10-13H,6-9H2,1H3,(H,22,23,24)
InChIKeyGFHCWNBKHSTCHW-UHFFFAOYSA-N
XLogP2.92
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
CID 70798379
6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
CID 159516056
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
CID 174683063
1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea
CID 54145553
3-(2,5-dimethylpyrimidin-4-yl)-5-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 175089364
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 23537619
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 68812028
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 141424335
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056885

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline (CID 59860128) is 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline is CN1CCN(c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
The InChIKey is GFHCWNBKHSTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-25-6-8-26(9-7-25)19-4-5-21-18-3-2-14(11-17(18)19)15-10-16-13-23-24-20(16)22-12-15/h2-5,10-13H,6-9H2,1H3,(H,22,23,24).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline?
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline has a molecular weight of 344.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline is sourced from PubChem (CID 59860128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).