tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate

C20H26N4O3 — CID 141485083

IUPACtert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cn3cc(C4CC4)ccc3n2)C1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-9-8-15(11-23)18(25)22-16-12-24-10-14(13-4-5-13)6-7-17(24)21-16/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyNQUZFZBMNLJOMI-HNNXBMFYSA-N
MW370.45 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 141485083) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID141485083
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cn3cc(C4CC4)ccc3n2)C1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-9-8-15(11-23)18(25)22-16-12-24-10-14(13-4-5-13)6-7-17(24)21-16/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyNQUZFZBMNLJOMI-HNNXBMFYSA-N
XLogP3.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[6-[(Z)-N'-hydroxycarbamimidoyl]imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 142772821
tert-butyl 3-[(2-bromo-6-methyl-3-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 163387197
tert-butyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 56794868
[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carbonyl]amino]-4-pyridinyl]boronic acid
CID 140853861
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxylate
CID 168797719
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
tert-butyl 3-[(5-formyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 118980438
(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980831

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 141485083) is tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cn3cc(C4CC4)ccc3n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is NQUZFZBMNLJOMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)23-9-8-15(11-23)18(25)22-16-12-24-10-14(13-4-5-13)6-7-17(24)21-16/h6-7,10,12-13,15H,4-5,8-9,11H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 141485083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).