N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

C22H23N9O2 — CID 169273871

IUPACN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C22H23N9O2/c1-32-18-3-2-13-6-17(7-15(13)8-18)26-21-23-9-16(10-24-21)20-28-29-22(33-20)31-5-4-14(12-31)19-11-25-30-27-19/h2-3,8-11,14,17H,4-7,12H2,1H3,(H,23,24,26)(H,25,27,30)
InChIKeyLUCMTYNFGILYLN-UHFFFAOYSA-N
MW445.49 g/mol
LogP2.23
Rot. Bonds6

About N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine

N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 169273871) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID169273871
Molecular FormulaC22H23N9O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESCOc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2
InChIInChI=1S/C22H23N9O2/c1-32-18-3-2-13-6-17(7-15(13)8-18)26-21-23-9-16(10-24-21)20-28-29-22(33-20)31-5-4-14(12-31)19-11-25-30-27-19/h2-3,8-11,14,17H,4-7,12H2,1H3,(H,23,24,26)(H,25,27,30)
InChIKeyLUCMTYNFGILYLN-UHFFFAOYSA-N
XLogP2.23
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273981
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 169273987
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(1H-imidazol-5-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273864
methyl 1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3-carboxylate
CID 169273943
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
CID 176894456
1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidine-3-carboxylic acid
CID 169273963
[4-[1-[5-[2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169274014
[4-[1-[5-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169273887
[5-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl] cyclopropanecarboxylate
CID 175289369
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
[4-[1-[5-[6-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]-3-pyridinyl]-1,3,4-oxadiazol-2-yl]azetidin-3-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 169273968
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 83275073

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 169273871) is N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is COc1ccc2c(c1)CC(Nc1ncc(-c3nnc(N4CCC(c5cn[nH]n5)C4)o3)cn1)C2.
What is the InChIKey of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is LUCMTYNFGILYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2/c1-32-18-3-2-13-6-17(7-15(13)8-18)26-21-23-9-16(10-24-21)20-28-29-22(33-20)31-5-4-14(12-31)19-11-25-30-27-19/h2-3,8-11,14,17H,4-7,12H2,1H3,(H,23,24,26)(H,25,27,30).
What are the key properties of N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 445.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 169273871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).