N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C22H25F3N6O — CID 57400283

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCN(CC5CC5)CC4)nc32)c1
InChIInChI=1S/C22H25F3N6O/c23-22(24,25)32-18-3-1-2-17(12-18)31-21-19(28-29-31)6-7-20(27-21)26-13-15-8-10-30(11-9-15)14-16-4-5-16/h1-3,6-7,12,15-16H,4-5,8-11,13-14H2,(H,26,27)
InChIKeyOIURYDDEAAXEAG-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.25
Rot. Bonds7

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 57400283) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID57400283
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCN(CC5CC5)CC4)nc32)c1
InChIInChI=1S/C22H25F3N6O/c23-22(24,25)32-18-3-1-2-17(12-18)31-21-19(28-29-31)6-7-20(27-21)26-13-15-8-10-30(11-9-15)14-16-4-5-16/h1-3,6-7,12,15-16H,4-5,8-11,13-14H2,(H,26,27)
InChIKeyOIURYDDEAAXEAG-UHFFFAOYSA-N
XLogP4.25
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 57400283) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCN(CC5CC5)CC4)nc32)c1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OIURYDDEAAXEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c23-22(24,25)32-18-3-1-2-17(12-18)31-21-19(28-29-31)6-7-20(27-21)26-13-15-8-10-30(11-9-15)14-16-4-5-16/h1-3,6-7,12,15-16H,4-5,8-11,13-14H2,(H,26,27).
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 446.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57400283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).