1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

C22H22N4O — CID 155902383

IUPAC1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC2(CC1)CC(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H22N4O/c27-21(20-7-11-24-25-20)26-12-8-22(9-13-26)14-18(16-4-3-10-23-15-16)17-5-1-2-6-19(17)22/h1-7,10-11,15,18H,8-9,12-14H2,(H,24,25)
InChIKeyGWFRBLNQHXVXPW-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.51
Rot. Bonds2

About 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (PubChem CID 155902383) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
PubChem CID155902383
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC2(CC1)CC(c1cccnc1)c1ccccc12
InChIInChI=1S/C22H22N4O/c27-21(20-7-11-24-25-20)26-12-8-22(9-13-26)14-18(16-4-3-10-23-15-16)17-5-1-2-6-19(17)22/h1-7,10-11,15,18H,8-9,12-14H2,(H,24,25)
InChIKeyGWFRBLNQHXVXPW-UHFFFAOYSA-N
XLogP3.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 133141048
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
1-morpholin-4-yl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131642800
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770
9-(1H-pyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131685889
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155991697
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843975
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469570

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (CID 155902383) is 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is O=C(c1ccn[nH]1)N1CCC2(CC1)CC(c1cccnc1)c1ccccc12.
What is the InChIKey of 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is GWFRBLNQHXVXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-21(20-7-11-24-25-20)26-12-8-22(9-13-26)14-18(16-4-3-10-23-15-16)17-5-1-2-6-19(17)22/h1-7,10-11,15,18H,8-9,12-14H2,(H,24,25).
What are the key properties of 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-(1-pyridin-3-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 155902383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).