tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate

C25H33N7O4 — CID 176646320

IUPACtert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
SMILESCCOc1cc2nc(C)cn2cc1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1
InChIInChI=1S/C25H33N7O4/c1-7-35-19-10-21-28-16(2)13-31(21)15-18(19)23(33)29-20-11-27-22(12-26-20)30-8-9-32(17(3)14-30)24(34)36-25(4,5)6/h10-13,15,17H,7-9,14H2,1-6H3,(H,26,29,33)/t17-/m0/s1
InChIKeyRVDJBWXZQKZCKY-KRWDZBQOSA-N
MW495.58 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate

tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate (PubChem CID 176646320) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
PubChem CID176646320
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC Nametert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate
SMILESCCOc1cc2nc(C)cn2cc1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1
InChIInChI=1S/C25H33N7O4/c1-7-35-19-10-21-28-16(2)13-31(21)15-18(19)23(33)29-20-11-27-22(12-26-20)30-8-9-32(17(3)14-30)24(34)36-25(4,5)6/h10-13,15,17H,7-9,14H2,1-6H3,(H,26,29,33)/t17-/m0/s1
InChIKeyRVDJBWXZQKZCKY-KRWDZBQOSA-N
XLogP3.53
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate (CID 176646320) is tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate is CCOc1cc2nc(C)cn2cc1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1.
What is the InChIKey of tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
The InChIKey is RVDJBWXZQKZCKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-7-35-19-10-21-28-16(2)13-31(21)15-18(19)23(33)29-20-11-27-22(12-26-20)30-8-9-32(17(3)14-30)24(34)36-25(4,5)6/h10-13,15,17H,7-9,14H2,1-6H3,(H,26,29,33)/t17-/m0/s1.
What are the key properties of tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate?
tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-[5-[(7-ethoxy-2-methylimidazo[1,2-a]pyridine-6-carbonyl)amino]pyrazin-2-yl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 176646320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).