tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate

C23H25N7O3 — CID 90121756

IUPACtert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccnc(Nc3cn4cc(C#N)ccc4n3)c2)C1
InChIInChI=1S/C23H25N7O3/c1-23(2,3)33-22(32)29-9-7-17(13-29)26-21(31)16-6-8-25-18(10-16)27-19-14-30-12-15(11-24)4-5-20(30)28-19/h4-6,8,10,12,14,17H,7,9,13H2,1-3H3,(H,25,27)(H,26,31)/t17-/m0/s1
InChIKeyXWRQPFQVHDQTNQ-KRWDZBQOSA-N
MW447.50 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 90121756) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID90121756
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Nametert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccnc(Nc3cn4cc(C#N)ccc4n3)c2)C1
InChIInChI=1S/C23H25N7O3/c1-23(2,3)33-22(32)29-9-7-17(13-29)26-21(31)16-6-8-25-18(10-16)27-19-14-30-12-15(11-24)4-5-20(30)28-19/h4-6,8,10,12,14,17H,7,9,13H2,1-3H3,(H,25,27)(H,26,31)/t17-/m0/s1
InChIKeyXWRQPFQVHDQTNQ-KRWDZBQOSA-N
XLogP3.08
TPSA124.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241993
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-4-carboxylic acid
CID 118918262
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl (3R)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pyrrolidine-1-carboxylate
CID 71629432
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl 3-[(4-azidobenzoyl)amino]pyrrolidine-1-carboxylate
CID 118983509
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate (CID 90121756) is tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccnc(Nc3cn4cc(C#N)ccc4n3)c2)C1.
What is the InChIKey of tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is XWRQPFQVHDQTNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-23(2,3)33-22(32)29-9-7-17(13-29)26-21(31)16-6-8-25-18(10-16)27-19-14-30-12-15(11-24)4-5-20(30)28-19/h4-6,8,10,12,14,17H,7,9,13H2,1-3H3,(H,25,27)(H,26,31)/t17-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 447.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90121756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).