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

C29H39N3O4 — CID 58801644

IUPACN-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3c(COC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C29H39N3O4/c1-5-24-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)26-8-6-7-25(32(26)30-24)28-22(19-33-2)15-23(34-3)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
InChIKeyQCMYGQPUQVYPFU-UHFFFAOYSA-N
MW493.65 g/mol
LogP5.37
Rot. Bonds11

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

N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58801644) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58801644
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC NameN-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCCc1nn2c(-c3c(COC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1
InChIInChI=1S/C29H39N3O4/c1-5-24-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)26-8-6-7-25(32(26)30-24)28-22(19-33-2)15-23(34-3)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3
InChIKeyQCMYGQPUQVYPFU-UHFFFAOYSA-N
XLogP5.37
TPSA57.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58801644) is N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is CCc1nn2c(-c3c(COC)cc(OC)cc3OC)cccc2c1N(CC1CCOCC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is QCMYGQPUQVYPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-5-24-29(31(17-20-9-10-20)18-21-11-13-36-14-12-21)26-8-6-7-25(32(26)30-24)28-22(19-33-2)15-23(34-3)16-27(28)35-4/h6-8,15-16,20-21H,5,9-14,17-19H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 493.65 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 N-(cyclopropylmethyl)-7-[2,4-dimethoxy-6-(methoxymethyl)phenyl]-2-ethyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58801644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).