tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate

C32H40N8O4 — CID 118185279

IUPACtert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
SMILESCCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C32H40N8O4/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3
InChIKeyWYXJWZXAQRGHDU-UHFFFAOYSA-N
MW600.72 g/mol
LogP4.88
Rot. Bonds8

About tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate

tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate (PubChem CID 118185279) has the molecular formula C32H40N8O4 and a molecular weight of 600.72 g/mol. Its IUPAC name is tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
PubChem CID118185279
Molecular FormulaC32H40N8O4
Molecular Weight600.72 g/mol
Exact Mass600.32
IUPAC Nametert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate
SMILESCCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C32H40N8O4/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3
InChIKeyWYXJWZXAQRGHDU-UHFFFAOYSA-N
XLogP4.88
TPSA110.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate (CID 118185279) is tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate is CCCOc1cc(N(C(=O)OC(C)(C)C)c2nc(-c3cncc(C)n3)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.
What is the InChIKey of tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate?
The InChIKey is WYXJWZXAQRGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N8O4/c1-6-15-43-28-16-23(7-8-27(28)38-13-11-37(12-14-38)24-20-42-21-24)40(31(41)44-32(3,4)5)30-29-34-9-10-39(29)19-26(36-30)25-18-33-17-22(2)35-25/h7-10,16-19,24H,6,11-15,20-21H2,1-5H3.
What are the key properties of tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate?
tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate has a molecular weight of 600.72 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(6-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]-3-propoxyphenyl]carbamate is sourced from PubChem (CID 118185279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).