[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol

C28H37N3O4 — CID 21084107

IUPAC[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol
SMILESCCc1nn2c(-c3c(OC)cc(CO)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C28H37N3O4/c1-4-22-28(30(16-19-8-9-19)17-20-10-12-35-13-11-20)24-7-5-6-23(31(24)29-22)27-25(33-2)14-21(18-32)15-26(27)34-3/h5-7,14-15,19-20,32H,4,8-13,16-18H2,1-3H3
InChIKeyWPDJIWKWYHDKLS-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.72
Rot. Bonds10

About [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol

[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol (PubChem CID 21084107) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol
PubChem CID21084107
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol
SMILESCCc1nn2c(-c3c(OC)cc(CO)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C28H37N3O4/c1-4-22-28(30(16-19-8-9-19)17-20-10-12-35-13-11-20)24-7-5-6-23(31(24)29-22)27-25(33-2)14-21(18-32)15-26(27)34-3/h5-7,14-15,19-20,32H,4,8-13,16-18H2,1-3H3
InChIKeyWPDJIWKWYHDKLS-UHFFFAOYSA-N
XLogP4.72
TPSA68.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol?
The IUPAC name of [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol (CID 21084107) is [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol?
The canonical SMILES for [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol is CCc1nn2c(-c3c(OC)cc(CO)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1.
What is the InChIKey of [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol?
The InChIKey is WPDJIWKWYHDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-4-22-28(30(16-19-8-9-19)17-20-10-12-35-13-11-20)24-7-5-6-23(31(24)29-22)27-25(33-2)14-21(18-32)15-26(27)34-3/h5-7,14-15,19-20,32H,4,8-13,16-18H2,1-3H3.
What are the key properties of [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol?
[4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol has a molecular weight of 479.62 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[cyclopropylmethyl(oxan-4-ylmethyl)amino]-2-ethylpyrazolo[1,5-a]pyridin-7-yl]-3,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 21084107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).