1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C18H22N6O — CID 91828962

IUPAC1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2cccnc2)o1)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H22N6O/c1-24(11-16-14-7-3-2-4-8-15(14)20-21-16)12-17-22-23-18(25-17)13-6-5-9-19-10-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyIIWDAWFJEXTJHD-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.76
Rot. Bonds5

About 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 91828962) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID91828962
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCN(Cc1nnc(-c2cccnc2)o1)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C18H22N6O/c1-24(11-16-14-7-3-2-4-8-15(14)20-21-16)12-17-22-23-18(25-17)13-6-5-9-19-10-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyIIWDAWFJEXTJHD-UHFFFAOYSA-N
XLogP2.76
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
CID 74233572
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
CID 91830312
N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 91835896
N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137345430
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
2-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]pyridine-4-carbonitrile
CID 118762991
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-ylethanamine
CID 171907211
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxypyrimidin-5-yl)-N-methylmethanamine
CID 131917395
N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
CID 124756382
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
2-[4-[4-[[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]methyl]phenyl]pyrazol-1-yl]propanamide
CID 170511777
1-methyl-3-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
CID 122570891

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 91828962) is 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is CN(Cc1nnc(-c2cccnc2)o1)Cc1n[nH]c2c1CCCCC2.
What is the InChIKey of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is IIWDAWFJEXTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-24(11-16-14-7-3-2-4-8-15(14)20-21-16)12-17-22-23-18(25-17)13-6-5-9-19-10-13/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 338.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 91828962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).