N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine

C19H25F2N7O — CID 172892183

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C19H25F2N7O/c1-26(11-17-24-25-18(29-17)13-2-3-13)14-9-28(10-14)16-8-15(22-12-23-16)27-6-4-19(20,21)5-7-27/h8,12-14H,2-7,9-11H2,1H3
InChIKeyIFGXRISNANIVEH-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.29
Rot. Bonds6

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine (PubChem CID 172892183) has the molecular formula C19H25F2N7O and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
PubChem CID172892183
Molecular FormulaC19H25F2N7O
Molecular Weight405.45 g/mol
Exact Mass405.21
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C19H25F2N7O/c1-26(11-17-24-25-18(29-17)13-2-3-13)14-9-28(10-14)16-8-15(22-12-23-16)27-6-4-19(20,21)5-7-27/h8,12-14H,2-7,9-11H2,1H3
InChIKeyIFGXRISNANIVEH-UHFFFAOYSA-N
XLogP2.29
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine with MolForge

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892030
N-[(5-bromo-3-pyridinyl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892544
1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 175650004
N-methyl-N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919734
N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919733
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126918275
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 71928239
(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 96998564
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)azetidin-3-amine
CID 126917510
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine (CID 172892183) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine is CN(Cc1nnc(C2CC2)o1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The InChIKey is IFGXRISNANIVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N7O/c1-26(11-17-24-25-18(29-17)13-2-3-13)14-9-28(10-14)16-8-15(22-12-23-16)27-6-4-19(20,21)5-7-27/h8,12-14H,2-7,9-11H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine has a molecular weight of 405.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine is sourced from PubChem (CID 172892183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).