N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine

C32H34N4O2 — CID 75061316

IUPACN,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESCn1nc(-c2ccc3ccccc3c2)cc1C1CN2CCC1CC2CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C32H34N4O2/c1-34-32(18-31(33-34)26-11-10-23-6-2-3-7-24(23)16-26)30-22-36-13-12-25(30)17-27(36)19-35(20-28-8-4-14-37-28)21-29-9-5-15-38-29/h2-11,14-16,18,25,27,30H,12-13,17,19-22H2,1H3
InChIKeyPOYOECKUCHPQML-UHFFFAOYSA-N
MW506.65 g/mol
LogP6.31
Rot. Bonds8

About N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine

N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine (PubChem CID 75061316) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
PubChem CID75061316
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESCn1nc(-c2ccc3ccccc3c2)cc1C1CN2CCC1CC2CN(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C32H34N4O2/c1-34-32(18-31(33-34)26-11-10-23-6-2-3-7-24(23)16-26)30-22-36-13-12-25(30)17-27(36)19-35(20-28-8-4-14-37-28)21-29-9-5-15-38-29/h2-11,14-16,18,25,27,30H,12-13,17,19-22H2,1H3
InChIKeyPOYOECKUCHPQML-UHFFFAOYSA-N
XLogP6.31
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine with MolForge

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-[5-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 75061314
1-[(2R,4S,5R)-5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N,N-bis(furan-2-ylmethyl)methanamine
CID 44715913
1-[(2R,4S,5S)-5-(3-cyclohexyl-1-methylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]-N,N-bis(furan-2-ylmethyl)methanamine
CID 163130371
N-(furan-2-ylmethyl)-1-[(2R,4S,5S)-5-(1-methyl-3-phenylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 162804838
1-[(2R,4S,5S)-5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-(furan-2-ylmethyl)methanamine
CID 162887337
[(2R,4S,5R)-5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propylcarbamate
CID 25389521
1-benzyl-3-[[(2R,4S,5S)-5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 162807534
N-(furan-2-ylmethyl)-1-[5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 75061351
1-[(2R,4S,5S)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 162915393
[(2R,4S,5R)-5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 44716362
N-[[5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
CID 74450901
N-[[(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]naphthalene-2-sulfonamide
CID 40779543

Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine (CID 75061316) is N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine is Cn1nc(-c2ccc3ccccc3c2)cc1C1CN2CCC1CC2CN(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The InChIKey is POYOECKUCHPQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-34-32(18-31(33-34)26-11-10-23-6-2-3-7-24(23)16-26)30-22-36-13-12-25(30)17-27(36)19-35(20-28-8-4-14-37-28)21-29-9-5-15-38-29/h2-11,14-16,18,25,27,30H,12-13,17,19-22H2,1H3.
What are the key properties of N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine has a molecular weight of 506.65 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-1-[5-(1-methyl-3-naphthalen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methanamine is sourced from PubChem (CID 75061316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).