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

C28H37N3O5 — CID 58801661

IUPACN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCOCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(OC)nn23)c(OC)c1
InChIInChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
InChIKeyJINWZKYMIOVZFM-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.82
Rot. Bonds11

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

N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58801661) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58801661
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC NameN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCOCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(OC)nn23)c(OC)c1
InChIInChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
InChIKeyJINWZKYMIOVZFM-UHFFFAOYSA-N
XLogP4.82
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58801661) is N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(OC)nn23)c(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is JINWZKYMIOVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 495.62 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58801661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).