7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H22F2N8 — CID 126649797

IUPAC7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(C4CCNCC4(F)F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H22F2N8/c22-21(23)12-25-5-4-17(21)15-3-1-2-13(6-15)10-31-11-14(9-26-31)7-16-8-18(24)27-20-19(16)28-30-29-20/h1-3,6,8-9,11,17,25H,4-5,7,10,12H2,(H3,24,27,28,29,30)
InChIKeyMMFQMTAPOCXMID-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.48
Rot. Bonds5

About 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649797) has the molecular formula C21H22F2N8 and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649797
Molecular FormulaC21H22F2N8
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(C4CCNCC4(F)F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C21H22F2N8/c22-21(23)12-25-5-4-17(21)15-3-1-2-13(6-15)10-31-11-14(9-26-31)7-16-8-18(24)27-20-19(16)28-30-29-20/h1-3,6,8-9,11,17,25H,4-5,7,10,12H2,(H3,24,27,28,29,30)
InChIKeyMMFQMTAPOCXMID-UHFFFAOYSA-N
XLogP2.48
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675695
7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676589
7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675532
7-[[1-[(3-pyridin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675681
7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 137435443
7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649364
[4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 126649705
7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649812
7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676279
7-[[1-[[(2S,4S)-4-(4-fluorophenoxy)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126677171
4-[[1-[[3-(2-benzylpiperazin-1-yl)phenyl]methyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 126676750
7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164623957

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649797) is 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(Cc3cccc(C4CCNCC4(F)F)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MMFQMTAPOCXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N8/c22-21(23)12-25-5-4-17(21)15-3-1-2-13(6-15)10-31-11-14(9-26-31)7-16-8-18(24)27-20-19(16)28-30-29-20/h1-3,6,8-9,11,17,25H,4-5,7,10,12H2,(H3,24,27,28,29,30).
What are the key properties of 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 424.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).