[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate

C24H23N5O2 — CID 167366973

IUPAC[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)O[C@@H]4CCCNC4)cc3c2)n1
InChIInChI=1S/C24H23N5O2/c1-15-4-2-6-22(28-15)23-20(14-27-29-23)16-7-8-21-17(10-16)11-18(12-26-21)24(30)31-19-5-3-9-25-13-19/h2,4,6-8,10-12,14,19,25H,3,5,9,13H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyUBKAVIIOJDSSCO-LJQANCHMSA-N
MW413.48 g/mol
LogP3.90
Rot. Bonds4

About [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate

[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate (PubChem CID 167366973) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate
PubChem CID167366973
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)O[C@@H]4CCCNC4)cc3c2)n1
InChIInChI=1S/C24H23N5O2/c1-15-4-2-6-22(28-15)23-20(14-27-29-23)16-7-8-21-17(10-16)11-18(12-26-21)24(30)31-19-5-3-9-25-13-19/h2,4,6-8,10-12,14,19,25H,3,5,9,13H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyUBKAVIIOJDSSCO-LJQANCHMSA-N
XLogP3.90
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate with MolForge

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Related Compounds

azetidin-3-ylmethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 167366464
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)quinoline
CID 167367186
2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 167366803
2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-4-carboxylate
CID 167366460
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-N-piperidin-4-yl-1,5-naphthyridin-3-amine
CID 167366791
2-methyl-6-[4-[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 58612140
[(2R,3S)-2-aminohexan-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
CID 156744017
1-ethyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]benzimidazole
CID 11392508
cyclopentyl quinoline-3-carboxylate
CID 91372569
[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
CID 167366794
N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
CID 167366534
2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
CID 69350240

Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate?
The IUPAC name of [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate (CID 167366973) is [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate.
What is the SMILES notation for [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate?
The canonical SMILES for [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C(=O)O[C@@H]4CCCNC4)cc3c2)n1.
What is the InChIKey of [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate?
The InChIKey is UBKAVIIOJDSSCO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-4-2-6-22(28-15)23-20(14-27-29-23)16-7-8-21-17(10-16)11-18(12-26-21)24(30)31-19-5-3-9-25-13-19/h2,4,6-8,10-12,14,19,25H,3,5,9,13H2,1H3,(H,27,29)/t19-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate?
[(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate has a molecular weight of 413.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl] 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-3-carboxylate is sourced from PubChem (CID 167366973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).