N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine

C21H19N7OS — CID 53390294

IUPACN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)cc(Nc3csc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C21H19N7OS/c1-2-15-11-23-26-17(15)9-14(1)16-10-18(20-22-3-4-28(20)12-16)24-19-13-30-21(25-19)27-5-7-29-8-6-27/h1-4,9-13,24H,5-8H2,(H,23,26)
InChIKeyKAMBVFJWGKNGER-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine

N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine (PubChem CID 53390294) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine
PubChem CID53390294
Molecular FormulaC21H19N7OS
Molecular Weight417.50 g/mol
Exact Mass417.14
IUPAC NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)cc(Nc3csc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C21H19N7OS/c1-2-15-11-23-26-17(15)9-14(1)16-10-18(20-22-3-4-28(20)12-16)24-19-13-30-21(25-19)27-5-7-29-8-6-27/h1-4,9-13,24H,5-8H2,(H,23,26)
InChIKeyKAMBVFJWGKNGER-UHFFFAOYSA-N
XLogP3.91
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine?
The IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine (CID 53390294) is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine.
What is the SMILES notation for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine?
The canonical SMILES for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)cc(Nc3csc(N4CCOCC4)n3)c2n1.
What is the InChIKey of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine?
The InChIKey is KAMBVFJWGKNGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-2-15-11-23-26-17(15)9-14(1)16-10-18(20-22-3-4-28(20)12-16)24-19-13-30-21(25-19)27-5-7-29-8-6-27/h1-4,9-13,24H,5-8H2,(H,23,26).
What are the key properties of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine?
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine has a molecular weight of 417.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyridin-8-yl]-2-morpholin-4-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 53390294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).