1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine

C21H26N4O4 — CID 162664603

IUPAC1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)nn(C3CCCC3)c2n1
InChIInChI=1S/C21H26N4O4/c1-26-16-11-13(12-17(27-2)19(16)29-4)22-20-15-9-10-18(28-3)23-21(15)25(24-20)14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H,22,24)
InChIKeyLBNUXXBKXQWGBO-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.32
Rot. Bonds7

About 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine

1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 162664603) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine
PubChem CID162664603
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine
SMILESCOc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)nn(C3CCCC3)c2n1
InChIInChI=1S/C21H26N4O4/c1-26-16-11-13(12-17(27-2)19(16)29-4)22-20-15-9-10-18(28-3)23-21(15)25(24-20)14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H,22,24)
InChIKeyLBNUXXBKXQWGBO-UHFFFAOYSA-N
XLogP4.32
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine (CID 162664603) is 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine is COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)nn(C3CCCC3)c2n1.
What is the InChIKey of 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is LBNUXXBKXQWGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-26-16-11-13(12-17(27-2)19(16)29-4)22-20-15-9-10-18(28-3)23-21(15)25(24-20)14-7-5-6-8-14/h9-12,14H,5-8H2,1-4H3,(H,22,24).
What are the key properties of 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine?
1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 398.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methoxy-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162664603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).