tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate

C21H27N7O3 — CID 58303617

IUPACtert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCOc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C21H27N7O3/c1-21(2,3)31-20(29)27-7-5-6-14(12-27)25-17-10-22-11-18(26-17)28-13-24-15-9-23-19(30-4)8-16(15)28/h8-11,13-14H,5-7,12H2,1-4H3,(H,25,26)/t14-/m1/s1
InChIKeyXTFIVMJBINCGKX-CQSZACIVSA-N
MW425.49 g/mol
LogP3.03
Rot. Bonds4

About tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 58303617) has the molecular formula C21H27N7O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID58303617
Molecular FormulaC21H27N7O3
Molecular Weight425.49 g/mol
Exact Mass425.22
IUPAC Nametert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCOc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C21H27N7O3/c1-21(2,3)31-20(29)27-7-5-6-14(12-27)25-17-10-22-11-18(26-17)28-13-24-15-9-23-19(30-4)8-16(15)28/h8-11,13-14H,5-7,12H2,1-4H3,(H,25,26)/t14-/m1/s1
InChIKeyXTFIVMJBINCGKX-CQSZACIVSA-N
XLogP3.03
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303458
(3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
CID 68557830
tert-butyl (3R)-3-[[6-(6-chloroimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate;2-tert-butyl-3-[[6-(6-chloroimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylic acid
CID 87100145
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 76753543
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 67958593
tert-butyl 3-[[6-bromo-5-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 166885100
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl (3S,4S)-3-[[6-(7-bromo-6-ethoxyimidazo[4,5-c]pyridin-3-yl)pyrazin-2-yl]amino]-4-methoxypiperidine-1-carboxylate
CID 66670668
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 58303617) is tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate is COc1cc2c(cn1)ncn2-c1cncc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is XTFIVMJBINCGKX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N7O3/c1-21(2,3)31-20(29)27-7-5-6-14(12-27)25-17-10-22-11-18(26-17)28-13-24-15-9-23-19(30-4)8-16(15)28/h8-11,13-14H,5-7,12H2,1-4H3,(H,25,26)/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).