[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine

C25H25N5 — CID 137490343

IUPAC[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccnc2ccc(-c3ccc(-c4cnn(C)c4)cc3)cc12)N1CCCCC1
InChIInChI=1S/C25H25N5/c1-29-17-21(16-28-29)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-27-24)25(26)30-13-3-2-4-14-30/h5-12,15-17,26H,2-4,13-14H2,1H3/b26-25-
InChIKeyAFWUVFFXCMCKAR-QPLCGJKRSA-N
MW395.51 g/mol
LogP5.11
Rot. Bonds3

About [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine

[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine (PubChem CID 137490343) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine
PubChem CID137490343
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine
SMILES[H]/N=C(/c1ccnc2ccc(-c3ccc(-c4cnn(C)c4)cc3)cc12)N1CCCCC1
InChIInChI=1S/C25H25N5/c1-29-17-21(16-28-29)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-27-24)25(26)30-13-3-2-4-14-30/h5-12,15-17,26H,2-4,13-14H2,1H3/b26-25-
InChIKeyAFWUVFFXCMCKAR-QPLCGJKRSA-N
XLogP5.11
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
morpholin-4-yl-[6-(4-morpholin-4-ylphenyl)quinolin-4-yl]methanimine
CID 137490334
(1-methylpyrazol-4-yl)-piperidin-1-ylmethanimine
CID 65198115
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
(3-methoxyazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-6-yl]methanone
CID 137490309
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
CID 127045266
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311

Frequently Asked Questions

What is the IUPAC name of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine?
The IUPAC name of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine (CID 137490343) is [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine.
What is the SMILES notation for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine?
The canonical SMILES for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine is [H]/N=C(/c1ccnc2ccc(-c3ccc(-c4cnn(C)c4)cc3)cc12)N1CCCCC1.
What is the InChIKey of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine?
The InChIKey is AFWUVFFXCMCKAR-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H25N5/c1-29-17-21(16-28-29)19-7-5-18(6-8-19)20-9-10-24-23(15-20)22(11-12-27-24)25(26)30-13-3-2-4-14-30/h5-12,15-17,26H,2-4,13-14H2,1H3/b26-25-.
What are the key properties of [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine?
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine has a molecular weight of 395.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanimine is sourced from PubChem (CID 137490343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).