methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

C17H18N6O2 — CID 58177387

IUPACmethyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C17H18N6O2/c1-25-17(24)23-8-5-11(10-23)21-15-12(3-2-6-18-15)14-9-20-16-13(22-14)4-7-19-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyYEMGRNZLFUZGTR-LLVKDONJSA-N
MW338.37 g/mol
LogP2.27
Rot. Bonds3

About methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate

methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (PubChem CID 58177387) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
PubChem CID58177387
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Namemethyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C17H18N6O2/c1-25-17(24)23-8-5-11(10-23)21-15-12(3-2-6-18-15)14-9-20-16-13(22-14)4-7-19-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyYEMGRNZLFUZGTR-LLVKDONJSA-N
XLogP2.27
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

Lorpucitinib
CID 134611548
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
Tert-Butyl [(1r,3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)cyclopentyl]carbamate
CID 53341503
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
CID 132473018
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
Bms-066
CID 24825710
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate (CID 58177387) is methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is COC(=O)N1CC[C@@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is YEMGRNZLFUZGTR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-17(24)23-8-5-11(10-23)21-15-12(3-2-6-18-15)14-9-20-16-13(22-14)4-7-19-16/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate?
methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58177387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).