(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

C25H30N4O — CID 95814280

IUPAC(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c2)c1
InChIInChI=1S/C25H30N4O/c1-17-7-5-8-20(11-17)13-21-12-18(2)27-24(14-21)22-9-6-10-29(16-22)25(30)23-15-26-28(4)19(23)3/h5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-4H3/t22-/m0/s1
InChIKeyPAJZFJLJTBGPNJ-QFIPXVFZSA-N
MW402.54 g/mol
LogP4.35
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95814280) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95814280
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c2)c1
InChIInChI=1S/C25H30N4O/c1-17-7-5-8-20(11-17)13-21-12-18(2)27-24(14-21)22-9-6-10-29(16-22)25(30)23-15-26-28(4)19(23)3/h5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-4H3/t22-/m0/s1
InChIKeyPAJZFJLJTBGPNJ-QFIPXVFZSA-N
XLogP4.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110252642
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814462
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466
1-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95816388
N-[2-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95816474
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92616884
[3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110252560
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
[(3S)-3-[4-[(3-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95814467

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 95814280) is (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c2)c1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is PAJZFJLJTBGPNJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N4O/c1-17-7-5-8-20(11-17)13-21-12-18(2)27-24(14-21)22-9-6-10-29(16-22)25(30)23-15-26-28(4)19(23)3/h5,7-8,11-12,14-15,22H,6,9-10,13,16H2,1-4H3/t22-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95814280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).