N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C30H33N7O — CID 59589636

IUPACN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34)
InChIKeyXXBLNMWXQGNYFS-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.63
Rot. Bonds8

About N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59589636) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59589636
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC NameN-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34)
InChIKeyXXBLNMWXQGNYFS-UHFFFAOYSA-N
XLogP5.63
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59589636) is N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nn(C)c(C)c1-c1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XXBLNMWXQGNYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-21-29(22(2)35(3)33-21)24-9-6-8-23(20-24)27-10-7-11-28-32-30(34-37(27)28)31-25-12-14-26(15-13-25)38-19-18-36-16-4-5-17-36/h6-15,20H,4-5,16-19H2,1-3H3,(H,31,34).
What are the key properties of N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 507.64 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59589636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).