tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate

C19H32N4O2 — CID 129436545

IUPACtert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1cn2c(n1)CC[C@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H32N4O2/c1-13-11-22-12-15(8-9-17(22)20-13)21-14(2)16-7-6-10-23(16)18(24)25-19(3,4)5/h11,14-16,21H,6-10,12H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyQCRFSTKKDNANQQ-OWCLPIDISA-N
MW348.49 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 129436545) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID129436545
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1cn2c(n1)CC[C@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2
InChIInChI=1S/C19H32N4O2/c1-13-11-22-12-15(8-9-17(22)20-13)21-14(2)16-7-6-10-23(16)18(24)25-19(3,4)5/h11,14-16,21H,6-10,12H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyQCRFSTKKDNANQQ-OWCLPIDISA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate (CID 129436545) is tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate is Cc1cn2c(n1)CC[C@H](N[C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is QCRFSTKKDNANQQ-OWCLPIDISA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13-11-22-12-15(8-9-17(22)20-13)21-14(2)16-7-6-10-23(16)18(24)25-19(3,4)5/h11,14-16,21H,6-10,12H2,1-5H3/t14-,15+,16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R)-1-[[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 129436545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).