spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

C21H22N4O2 — CID 157012389

IUPACspiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC3(COc4ccccc4C3)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H22N4O2/c1-13-8-16(18-14(2)23-24(3)19(18)22-13)20(26)25-10-21(11-25)9-15-6-4-5-7-17(15)27-12-21/h4-8H,9-12H2,1-3H3
InChIKeyFSODCRKYGHCPGL-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.66
Rot. Bonds1

About spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 157012389) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Namespiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID157012389
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Namespiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC3(COc4ccccc4C3)C2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H22N4O2/c1-13-8-16(18-14(2)23-24(3)19(18)22-13)20(26)25-10-21(11-25)9-15-6-4-5-7-17(15)27-12-21/h4-8H,9-12H2,1-3H3
InChIKeyFSODCRKYGHCPGL-UHFFFAOYSA-N
XLogP2.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
1-[10-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 175655966
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 43043093
[4-(3-methylphenyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609903
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331642
[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331641
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16622852
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 157012389) is spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CC3(COc4ccccc4C3)C2)c2c(C)nn(C)c2n1.
What is the InChIKey of spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is FSODCRKYGHCPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-16(18-14(2)23-24(3)19(18)22-13)20(26)25-10-21(11-25)9-15-6-4-5-7-17(15)27-12-21/h4-8H,9-12H2,1-3H3.
What are the key properties of spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 157012389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).