(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone

C18H20N4O — CID 126834320

IUPAC(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone
SMILESCC1=Nc2ccccc2C12CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H20N4O/c1-13-18(14-5-3-4-6-15(14)19-13)8-11-22(12-9-18)17(23)16-7-10-21(2)20-16/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyBZFOOUCJBJBCIY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.70
Rot. Bonds1

About (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone

(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone (PubChem CID 126834320) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone
PubChem CID126834320
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone
SMILESCC1=Nc2ccccc2C12CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H20N4O/c1-13-18(14-5-3-4-6-15(14)19-13)8-11-22(12-9-18)17(23)16-7-10-21(2)20-16/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyBZFOOUCJBJBCIY-UHFFFAOYSA-N
XLogP2.70
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
CID 107162442
1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 126833498
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97409309
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone
CID 126833497
2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
CID 136568238
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone (CID 126834320) is (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone is CC1=Nc2ccccc2C12CCN(C(=O)c1ccn(C)n1)CC2.
What is the InChIKey of (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is BZFOOUCJBJBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-18(14-5-3-4-6-15(14)19-13)8-11-22(12-9-18)17(23)16-7-10-21(2)20-16/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone?
(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 308.39 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 126834320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).