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

C28H37N3O4 — CID 58801647

IUPACN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCOCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1
InChIInChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,8-13,16-18H2,1-4H3
InChIKeyPPSFAYXLBKTJPN-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.12
Rot. Bonds10

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

N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 58801647) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
PubChem CID58801647
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC NameN-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
SMILESCOCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1
InChIInChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,8-13,16-18H2,1-4H3
InChIKeyPPSFAYXLBKTJPN-UHFFFAOYSA-N
XLogP5.12
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 ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-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-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine (CID 58801647) is N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-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-methyl-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-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(C)nn23)c(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is PPSFAYXLBKTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-19-28(30(16-20-8-9-20)17-21-10-12-35-13-11-21)24-7-5-6-23(31(24)29-19)27-25(33-3)14-22(18-32-2)15-26(27)34-4/h5-7,14-15,20-21H,8-13,16-18H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine?
N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 479.62 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 58801647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).