N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine

C28H37N3O4 — CID 58730488

IUPACN-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3c(OC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C28H37N3O4/c1-5-22-28(30(17-19-9-10-19)18-20-11-13-35-14-12-20)24-8-6-7-23(31(24)29-22)27-25(33-3)15-21(32-2)16-26(27)34-4/h6-8,15-16,19-20H,5,9-14,17-18H2,1-4H3
InChIKeyKOEJYLNPZHBZTF-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.23
Rot. Bonds10

About N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine

N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58730488) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58730488
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC NameN-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3c(OC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C28H37N3O4/c1-5-22-28(30(17-19-9-10-19)18-20-11-13-35-14-12-20)24-8-6-7-23(31(24)29-22)27-25(33-3)15-21(32-2)16-26(27)34-4/h6-8,15-16,19-20H,5,9-14,17-18H2,1-4H3
InChIKeyKOEJYLNPZHBZTF-UHFFFAOYSA-N
XLogP5.23
TPSA57.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58730488) is N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine is CCc1nn2c(-c3c(OC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is KOEJYLNPZHBZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-5-22-28(30(17-19-9-10-19)18-20-11-13-35-14-12-20)24-8-6-7-23(31(24)29-22)27-25(33-3)15-21(32-2)16-26(27)34-4/h6-8,15-16,19-20H,5,9-14,17-18H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine?
N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 479.62 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethyl-N-(oxan-4-ylmethyl)-7-(2,4,6-trimethoxyphenyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).