6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline

C19H22N4 — CID 25156476

IUPAC6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccn[nH]3)ccc2c1
InChIInChI=1S/C19H22N4/c1-14-3-2-11-23(14)12-9-15-4-6-17-16(13-15)5-7-18(21-17)19-8-10-20-22-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyMNBLFGKPLGBLBJ-CQSZACIVSA-N
MW306.41 g/mol
LogP3.65
Rot. Bonds4

About 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline

6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline (PubChem CID 25156476) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline
PubChem CID25156476
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline
SMILESC[C@@H]1CCCN1CCc1ccc2nc(-c3ccn[nH]3)ccc2c1
InChIInChI=1S/C19H22N4/c1-14-3-2-11-23(14)12-9-15-4-6-17-16(13-15)5-7-18(21-17)19-8-10-20-22-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyMNBLFGKPLGBLBJ-CQSZACIVSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
3-pyridin-4-yl-1H-indazole
CID 12412578
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780
(R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156750
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
US10131663, Example 29
CID 134453532

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline?
The IUPAC name of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline (CID 25156476) is 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline.
What is the SMILES notation for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline?
The canonical SMILES for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline is C[C@@H]1CCCN1CCc1ccc2nc(-c3ccn[nH]3)ccc2c1.
What is the InChIKey of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline?
The InChIKey is MNBLFGKPLGBLBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-3-2-11-23(14)12-9-15-4-6-17-16(13-15)5-7-18(21-17)19-8-10-20-22-19/h4-8,10,13-14H,2-3,9,11-12H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline?
6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(1H-pyrazol-5-yl)quinoline is sourced from PubChem (CID 25156476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).