N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C16H13F3N6O — CID 134198054

IUPACN-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCC(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C16H13F3N6O/c1-25-12-7-9(21-14-13-11(22-23-14)3-2-6-20-13)4-5-10(12)15(24-25)26-8-16(17,18)19/h2-7H,8H2,1H3,(H2,21,22,23)
InChIKeyBACQZYOKQKGKME-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.53
Rot. Bonds4

About N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134198054) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134198054
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC NameN-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCn1nc(OCC(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C16H13F3N6O/c1-25-12-7-9(21-14-13-11(22-23-14)3-2-6-20-13)4-5-10(12)15(24-25)26-8-16(17,18)19/h2-7H,8H2,1H3,(H2,21,22,23)
InChIKeyBACQZYOKQKGKME-UHFFFAOYSA-N
XLogP3.53
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134198054) is N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cn1nc(OCC(F)(F)F)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is BACQZYOKQKGKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c1-25-12-7-9(21-14-13-11(22-23-14)3-2-6-20-13)4-5-10(12)15(24-25)26-8-16(17,18)19/h2-7H,8H2,1H3,(H2,21,22,23).
What are the key properties of N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 362.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2,2,2-trifluoroethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134198054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).