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

C22H19N5 — CID 161320320

IUPAC1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCc1cccc(-c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)c1
InChIInChI=1S/C22H19N5/c1-14-5-3-6-15(11-14)20-18-9-8-17(12-19(18)27(2)26-20)25-22-21-16(13-24-22)7-4-10-23-21/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyLKXZLYOEILKKKA-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.32
Rot. Bonds2

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

1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 161320320) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID161320320
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESCc1cccc(-c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)c1
InChIInChI=1S/C22H19N5/c1-14-5-3-6-15(11-14)20-18-9-8-17(12-19(18)27(2)26-20)25-22-21-16(13-24-22)7-4-10-23-21/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyLKXZLYOEILKKKA-UHFFFAOYSA-N
XLogP4.32
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 157220035
1-N-methyl-1-N-(2-piperidin-1-ylethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158904621
3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 158461106
N-(1-methyl-3-pyridin-4-ylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192051
1-methyl-3-[(3S)-oxolan-3-yl]oxy-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 159763887
1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158219698
N-[3-chloro-4-(1-phenylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 161126434
N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 160747905
4-chloro-3-(4-ethynylphenoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-3-methoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-(2-methoxyethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxetan-3-yloxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 159030930
3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline
CID 90070817
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
CID 83739505
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 161320320) is 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is Cc1cccc(-c2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is LKXZLYOEILKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-14-5-3-6-15(11-14)20-18-9-8-17(12-19(18)27(2)26-20)25-22-21-16(13-24-22)7-4-10-23-21/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 353.43 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 161320320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).