(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C22H24N6O — CID 95213744

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)cc1
InChIInChI=1S/C22H24N6O/c1-15-5-7-16(8-6-15)18-12-23-25-20(18)17-4-3-9-27(14-17)22(29)19-13-24-28-11-10-26(2)21(19)28/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyUAMAZSQLIOMJEK-QGZVFWFLSA-N
MW388.48 g/mol
LogP3.39
Rot. Bonds3

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 95213744) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID95213744
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)cc1
InChIInChI=1S/C22H24N6O/c1-15-5-7-16(8-6-15)18-12-23-25-20(18)17-4-3-9-27(14-17)22(29)19-13-24-28-11-10-26(2)21(19)28/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyUAMAZSQLIOMJEK-QGZVFWFLSA-N
XLogP3.39
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95205309
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56756479
2-methyl-5-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 95200554
1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 95216001
4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56747717
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 95213744) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)cc1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UAMAZSQLIOMJEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-5-7-16(8-6-15)18-12-23-25-20(18)17-4-3-9-27(14-17)22(29)19-13-24-28-11-10-26(2)21(19)28/h5-8,10-13,17H,3-4,9,14H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95213744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).