N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C22H24N6OS — CID 134539527

IUPACN-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C22H24N6OS/c1-3-27(4-2)12-10-24-22(29)16-7-9-23-19(14-16)17-15-25-28-11-8-18(26-21(17)28)20-6-5-13-30-20/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,24,29)
InChIKeyKSXZIQVIDPCSIU-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.59
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539527) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539527
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C22H24N6OS/c1-3-27(4-2)12-10-24-22(29)16-7-9-23-19(14-16)17-15-25-28-11-8-18(26-21(17)28)20-6-5-13-30-20/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,24,29)
InChIKeyKSXZIQVIDPCSIU-UHFFFAOYSA-N
XLogP3.59
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539527) is N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)CCNC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is KSXZIQVIDPCSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-3-27(4-2)12-10-24-22(29)16-7-9-23-19(14-16)17-15-25-28-11-8-18(26-21(17)28)20-6-5-13-30-20/h5-9,11,13-15H,3-4,10,12H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).