5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

C25H29N9O3S — CID 46946047

IUPAC5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3cc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H29N9O3S/c26-25-27-14-19(15-28-25)22-18-33-17-20(29-23(33)24(30-22)32-10-12-37-13-11-32)16-31-6-8-34(9-7-31)38(35,36)21-4-2-1-3-5-21/h1-5,14-15,17-18H,6-13,16H2,(H2,26,27,28)
InChIKeyBBBDDBWDQRGYCG-UHFFFAOYSA-N
MW535.63 g/mol
LogP1.11
Rot. Bonds6

About 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (PubChem CID 46946047) has the molecular formula C25H29N9O3S and a molecular weight of 535.63 g/mol. Its IUPAC name is 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
PubChem CID46946047
Molecular FormulaC25H29N9O3S
Molecular Weight535.63 g/mol
Exact Mass535.21
IUPAC Name5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cn3cc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H29N9O3S/c26-25-27-14-19(15-28-25)22-18-33-17-20(29-23(33)24(30-22)32-10-12-37-13-11-32)16-31-6-8-34(9-7-31)38(35,36)21-4-2-1-3-5-21/h1-5,14-15,17-18H,6-13,16H2,(H2,26,27,28)
InChIKeyBBBDDBWDQRGYCG-UHFFFAOYSA-N
XLogP1.11
TPSA135.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (CID 46946047) is 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is Nc1ncc(-c2cn3cc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The InChIKey is BBBDDBWDQRGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O3S/c26-25-27-14-19(15-28-25)22-18-33-17-20(29-23(33)24(30-22)32-10-12-37-13-11-32)16-31-6-8-34(9-7-31)38(35,36)21-4-2-1-3-5-21/h1-5,14-15,17-18H,6-13,16H2,(H2,26,27,28).
What are the key properties of 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine has a molecular weight of 535.63 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 46946047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).