(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H22N4O — CID 127247491

IUPAC(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C19H22N4O/c1-13-10-20-21-18(13)14-6-5-9-23(11-14)19(24)16-12-22(2)17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,20,21)
InChIKeyLMDAQHSLUKOHEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.23
Rot. Bonds2

About (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 127247491) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID127247491
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C19H22N4O/c1-13-10-20-21-18(13)14-6-5-9-23(11-14)19(24)16-12-22(2)17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,20,21)
InChIKeyLMDAQHSLUKOHEJ-UHFFFAOYSA-N
XLogP3.23
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124997224
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 132764173
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 127247491) is (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cn[nH]c1C1CCCN(C(=O)c2cn(C)c3ccccc23)C1.
What is the InChIKey of (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is LMDAQHSLUKOHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-10-20-21-18(13)14-6-5-9-23(11-14)19(24)16-12-22(2)17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,20,21).
What are the key properties of (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).