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

C21H23N5O — CID 158461106

IUPAC3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
SMILESCn1nc(OCC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21
InChIInChI=1S/C21H23N5O/c1-26-19-11-15(24-20-16-7-4-10-22-18(16)12-23-20)8-9-17(19)21(25-26)27-13-14-5-2-3-6-14/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,23,24)
InChIKeyKSROPNZSUORCLW-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds4

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

3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (PubChem CID 158461106) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
PubChem CID158461106
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
SMILESCn1nc(OCC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21
InChIInChI=1S/C21H23N5O/c1-26-19-11-15(24-20-16-7-4-10-22-18(16)12-23-20)8-9-17(19)21(25-26)27-13-14-5-2-3-6-14/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,23,24)
InChIKeyKSROPNZSUORCLW-UHFFFAOYSA-N
XLogP3.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?
The IUPAC name of 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine (CID 158461106) is 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine.
What is the SMILES notation for 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?
The canonical SMILES for 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is Cn1nc(OCC2CCCC2)c2ccc(NC3=NCc4ncccc43)cc21.
What is the InChIKey of 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?
The InChIKey is KSROPNZSUORCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-26-19-11-15(24-20-16-7-4-10-22-18(16)12-23-20)8-9-17(19)21(25-26)27-13-14-5-2-3-6-14/h4,7-11,14H,2-3,5-6,12-13H2,1H3,(H,23,24).
What are the key properties of 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine?
3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine has a molecular weight of 361.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-1-methyl-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine is sourced from PubChem (CID 158461106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).