2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone

C19H18N4O2 — CID 146069181

IUPAC2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone
SMILESCc1ncc2c(n1)COC21CN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H18N4O2/c1-12-20-8-15-17(22-12)9-25-19(15)10-23(11-19)18(24)6-13-7-21-16-5-3-2-4-14(13)16/h2-5,7-8,21H,6,9-11H2,1H3
InChIKeyVZNMVRSRYYUESQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.08
Rot. Bonds2

About 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone

2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone (PubChem CID 146069181) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone
PubChem CID146069181
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone
SMILESCc1ncc2c(n1)COC21CN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H18N4O2/c1-12-20-8-15-17(22-12)9-25-19(15)10-23(11-19)18(24)6-13-7-21-16-5-3-2-4-14(13)16/h2-5,7-8,21H,6,9-11H2,1H3
InChIKeyVZNMVRSRYYUESQ-UHFFFAOYSA-N
XLogP2.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91911322
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129355491
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 56587652

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone (CID 146069181) is 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone is Cc1ncc2c(n1)COC21CN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone?
The InChIKey is VZNMVRSRYYUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-20-8-15-17(22-12)9-25-19(15)10-23(11-19)18(24)6-13-7-21-16-5-3-2-4-14(13)16/h2-5,7-8,21H,6,9-11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone?
2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone has a molecular weight of 334.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)ethanone is sourced from PubChem (CID 146069181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).