N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine

C23H23N9OS — CID 52941003

IUPACN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCOCC3)ns2)n1
InChIInChI=1S/C23H23N9OS/c1-15-14-32-19(16-11-26-27-12-16)13-25-23(32)22(28-15)29-20-10-18(30-34-20)21(17-4-2-3-5-24-17)31-6-8-33-9-7-31/h2-5,10-14,21H,6-9H2,1H3,(H,26,27)(H,28,29)
InChIKeyWGAUPXIFFBAUQN-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.44
Rot. Bonds6

About N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine (PubChem CID 52941003) has the molecular formula C23H23N9OS and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine
PubChem CID52941003
Molecular FormulaC23H23N9OS
Molecular Weight473.57 g/mol
Exact Mass473.17
IUPAC NameN-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCOCC3)ns2)n1
InChIInChI=1S/C23H23N9OS/c1-15-14-32-19(16-11-26-27-12-16)13-25-23(32)22(28-15)29-20-10-18(30-34-20)21(17-4-2-3-5-24-17)31-6-8-33-9-7-31/h2-5,10-14,21H,6-9H2,1H3,(H,26,27)(H,28,29)
InChIKeyWGAUPXIFFBAUQN-UHFFFAOYSA-N
XLogP3.44
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine?
The IUPAC name of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine (CID 52941003) is N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(c3ccccn3)N3CCOCC3)ns2)n1.
What is the InChIKey of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine?
The InChIKey is WGAUPXIFFBAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9OS/c1-15-14-32-19(16-11-26-27-12-16)13-25-23(32)22(28-15)29-20-10-18(30-34-20)21(17-4-2-3-5-24-17)31-6-8-33-9-7-31/h2-5,10-14,21H,6-9H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine?
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine has a molecular weight of 473.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[morpholin-4-yl(pyridin-2-yl)methyl]-1,2-thiazol-5-amine is sourced from PubChem (CID 52941003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).