1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one

C22H25N5O2 — CID 176503825

IUPAC1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESNc1ncc2c(n1)C1(CCN(C(=O)CCc3c[nH]c4ccccc34)CC1)OCC2
InChIInChI=1S/C22H25N5O2/c23-21-25-14-16-7-12-29-22(20(16)26-21)8-10-27(11-9-22)19(28)6-5-15-13-24-18-4-2-1-3-17(15)18/h1-4,13-14,24H,5-12H2,(H2,23,25,26)
InChIKeyUTMQANYZYVFBAP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one

1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 176503825) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID176503825
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESNc1ncc2c(n1)C1(CCN(C(=O)CCc3c[nH]c4ccccc34)CC1)OCC2
InChIInChI=1S/C22H25N5O2/c23-21-25-14-16-7-12-29-22(20(16)26-21)8-10-27(11-9-22)19(28)6-5-15-13-24-18-4-2-1-3-17(15)18/h1-4,13-14,24H,5-12H2,(H2,23,25,26)
InChIKeyUTMQANYZYVFBAP-UHFFFAOYSA-N
XLogP2.56
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167897458
formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 171688359
3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110114301
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 176501629

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one (CID 176503825) is 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one is Nc1ncc2c(n1)C1(CCN(C(=O)CCc3c[nH]c4ccccc34)CC1)OCC2.
What is the InChIKey of 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is UTMQANYZYVFBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c23-21-25-14-16-7-12-29-22(20(16)26-21)8-10-27(11-9-22)19(28)6-5-15-13-24-18-4-2-1-3-17(15)18/h1-4,13-14,24H,5-12H2,(H2,23,25,26).
What are the key properties of 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 176503825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).