N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine

C17H15N7S — CID 71195331

IUPACN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
SMILESCN1CC(c2cnc3c(Nc4cc5cccnc5s4)nccn23)C=N1
InChIInChI=1S/C17H15N7S/c1-23-10-12(8-21-23)13-9-20-16-15(18-5-6-24(13)16)22-14-7-11-3-2-4-19-17(11)25-14/h2-9,12H,10H2,1H3,(H,18,22)
InChIKeyXUXQHVKBLVRHIX-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.10
Rot. Bonds3

About N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine

N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (PubChem CID 71195331) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
PubChem CID71195331
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC NameN-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine
SMILESCN1CC(c2cnc3c(Nc4cc5cccnc5s4)nccn23)C=N1
InChIInChI=1S/C17H15N7S/c1-23-10-12(8-21-23)13-9-20-16-15(18-5-6-24(13)16)22-14-7-11-3-2-4-19-17(11)25-14/h2-9,12H,10H2,1H3,(H,18,22)
InChIKeyXUXQHVKBLVRHIX-UHFFFAOYSA-N
XLogP3.10
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The IUPAC name of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine (CID 71195331) is N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine.
What is the SMILES notation for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The canonical SMILES for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is CN1CC(c2cnc3c(Nc4cc5cccnc5s4)nccn23)C=N1.
What is the InChIKey of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
The InChIKey is XUXQHVKBLVRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-23-10-12(8-21-23)13-9-20-16-15(18-5-6-24(13)16)22-14-7-11-3-2-4-19-17(11)25-14/h2-9,12H,10H2,1H3,(H,18,22).
What are the key properties of N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine?
N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine has a molecular weight of 349.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]thieno[2,3-b]pyridin-2-amine is sourced from PubChem (CID 71195331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).