8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C24H27N7O — CID 59612555

IUPAC8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESc1cncc(CNc2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1
InChIInChI=1S/C24H27N7O/c1-2-13-30(12-1)15-16-32-21-9-7-20(8-10-21)27-24-28-23-22(6-4-14-31(23)29-24)26-18-19-5-3-11-25-17-19/h3-11,14,17,26H,1-2,12-13,15-16,18H2,(H,27,29)
InChIKeySCLQIPLFUSCOSM-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.95
Rot. Bonds9

About 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 59612555) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID59612555
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESc1cncc(CNc2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1
InChIInChI=1S/C24H27N7O/c1-2-13-30(12-1)15-16-32-21-9-7-20(8-10-21)27-24-28-23-22(6-4-14-31(23)29-24)26-18-19-5-3-11-25-17-19/h3-11,14,17,26H,1-2,12-13,15-16,18H2,(H,27,29)
InChIKeySCLQIPLFUSCOSM-UHFFFAOYSA-N
XLogP3.95
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 59612555) is 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is c1cncc(CNc2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1.
What is the InChIKey of 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is SCLQIPLFUSCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-2-13-30(12-1)15-16-32-21-9-7-20(8-10-21)27-24-28-23-22(6-4-14-31(23)29-24)26-18-19-5-3-11-25-17-19/h3-11,14,17,26H,1-2,12-13,15-16,18H2,(H,27,29).
What are the key properties of 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 429.53 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(pyridin-3-ylmethyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 59612555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).