7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine

C28H39N3O4 — CID 58801667

IUPAC7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCN(CC1CCOCC1)c1c(CC)nn2c(-c3c(OC)cc(COC)cc3OC)cccc12
InChIInChI=1S/C28H39N3O4/c1-6-13-30(18-20-11-14-35-15-12-20)28-22(7-2)29-31-23(9-8-10-24(28)31)27-25(33-4)16-21(19-32-3)17-26(27)34-5/h8-10,16-17,20H,6-7,11-15,18-19H2,1-5H3
InChIKeyPVUJVRIUAZEDLP-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.37
Rot. Bonds11

About 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine

7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58801667) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
PubChem CID58801667
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC Name7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine
SMILESCCCN(CC1CCOCC1)c1c(CC)nn2c(-c3c(OC)cc(COC)cc3OC)cccc12
InChIInChI=1S/C28H39N3O4/c1-6-13-30(18-20-11-14-35-15-12-20)28-22(7-2)29-31-23(9-8-10-24(28)31)27-25(33-4)16-21(19-32-3)17-26(27)34-5/h8-10,16-17,20H,6-7,11-15,18-19H2,1-5H3
InChIKeyPVUJVRIUAZEDLP-UHFFFAOYSA-N
XLogP5.37
TPSA57.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine (CID 58801667) is 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine is CCCN(CC1CCOCC1)c1c(CC)nn2c(-c3c(OC)cc(COC)cc3OC)cccc12.
What is the InChIKey of 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is PVUJVRIUAZEDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-6-13-30(18-20-11-14-35-15-12-20)28-22(7-2)29-31-23(9-8-10-24(28)31)27-25(33-4)16-21(19-32-3)17-26(27)34-5/h8-10,16-17,20H,6-7,11-15,18-19H2,1-5H3.
What are the key properties of 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine?
7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 481.64 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)-N-propylpyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58801667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).