1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine

C17H14F3N5O — CID 152886239

IUPAC1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine
SMILESCn1nc(OCC(F)(F)F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C17H14F3N5O/c1-25-13-7-11(23-15-14-10(8-22-15)3-2-6-21-14)4-5-12(13)16(24-25)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,23)
InChIKeyUCNZNDGHNUKAJY-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.28
Rot. Bonds3

About 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine

1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine (PubChem CID 152886239) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine.

Molecular Properties

Compound Name1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine
PubChem CID152886239
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine
SMILESCn1nc(OCC(F)(F)F)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C17H14F3N5O/c1-25-13-7-11(23-15-14-10(8-22-15)3-2-6-21-14)4-5-12(13)16(24-25)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,23)
InChIKeyUCNZNDGHNUKAJY-UHFFFAOYSA-N
XLogP3.28
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine with MolForge

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Related Compounds

2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134191965
N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192062
N-[1-methyl-3-(oxan-4-yloxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192169
N-[1-methyl-3-(oxan-2-ylmethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198051
US10034861, Example 77
CID 132273376
US10034861, Example 199
CID 132273487
1-(1H-indazol-4-yl)-3-((2-(neopentyloxy)-6-(trifluoromethyl)pyridin-3-yl)methyl)urea
CID 46890522
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192002
3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine
CID 56941935
US11072585, Example 49
CID 122516844
US10266548, Example 2-5-1
CID 130417013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine?
The IUPAC name of 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine (CID 152886239) is 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine.
What is the SMILES notation for 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine?
The canonical SMILES for 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine is Cn1nc(OCC(F)(F)F)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine?
The InChIKey is UCNZNDGHNUKAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-25-13-7-11(23-15-14-10(8-22-15)3-2-6-21-14)4-5-12(13)16(24-25)26-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,23).
What are the key properties of 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine?
1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine has a molecular weight of 361.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-3-(2,2,2-trifluoroethoxy)indazol-6-amine is sourced from PubChem (CID 152886239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).