N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

C24H27N9S — CID 143460462

IUPACN-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C1=CN(C)NC1
InChIInChI=1S/C24H27N9S/c1-15-7-21(34-22(15)18-10-28-32(3)13-18)30-23-24-26-11-20(17-9-27-31(2)12-17)33(24)14-19(29-23)16-5-4-6-25-8-16/h5,7,9,11-14,25,28H,4,6,8,10H2,1-3H3,(H,29,30)
InChIKeyGEEFVWFCCGDPOB-UHFFFAOYSA-N
MW473.61 g/mol
LogP3.41
Rot. Bonds5

About N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143460462) has the molecular formula C24H27N9S and a molecular weight of 473.61 g/mol. Its IUPAC name is N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID143460462
Molecular FormulaC24H27N9S
Molecular Weight473.61 g/mol
Exact Mass473.21
IUPAC NameN-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C1=CN(C)NC1
InChIInChI=1S/C24H27N9S/c1-15-7-21(34-22(15)18-10-28-32(3)13-18)30-23-24-26-11-20(17-9-27-31(2)12-17)33(24)14-19(29-23)16-5-4-6-25-8-16/h5,7,9,11-14,25,28H,4,6,8,10H2,1-3H3,(H,29,30)
InChIKeyGEEFVWFCCGDPOB-UHFFFAOYSA-N
XLogP3.41
TPSA87.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 143460462) is N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(Nc2nc(C3=CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1C1=CN(C)NC1.
What is the InChIKey of N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GEEFVWFCCGDPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9S/c1-15-7-21(34-22(15)18-10-28-32(3)13-18)30-23-24-26-11-20(17-9-27-31(2)12-17)33(24)14-19(29-23)16-5-4-6-25-8-16/h5,7,9,11-14,25,28H,4,6,8,10H2,1-3H3,(H,29,30).
What are the key properties of N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 473.61 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-methyl-1,5-dihydropyrazol-4-yl)thiophen-2-yl]-3-(1-methylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143460462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).