tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate

C22H27N5O2 — CID 110090105

IUPACtert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-13-9-16(10-14-26)17-15-27-12-6-7-18(27)20(24-17)25-19-8-4-5-11-23-19/h4-8,11-12,15-16H,9-10,13-14H2,1-3H3,(H,23,24,25)
InChIKeyCVFRSJAIZYQIAE-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 110090105) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID110090105
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Nametert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-13-9-16(10-14-26)17-15-27-12-6-7-18(27)20(24-17)25-19-8-4-5-11-23-19/h4-8,11-12,15-16H,9-10,13-14H2,1-3H3,(H,23,24,25)
InChIKeyCVFRSJAIZYQIAE-UHFFFAOYSA-N
XLogP4.59
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012
tert-butyl 2-[1-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 155985601
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 110269760
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 110090105) is tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1.
What is the InChIKey of tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is CVFRSJAIZYQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-13-9-16(10-14-26)17-15-27-12-6-7-18(27)20(24-17)25-19-8-4-5-11-23-19/h4-8,11-12,15-16H,9-10,13-14H2,1-3H3,(H,23,24,25).
What are the key properties of tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(pyridin-2-ylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 110090105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).