tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate

C31H38N8O5 — CID 66600043

IUPACtert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C31H38N8O5/c1-18-24(19(2)39(36-18)29(42)44-31(6,7)8)22-17-20(11-12-32-22)25(40)27-33-21-9-10-23(34-26(21)35-27)37-13-15-38(16-14-37)28(41)43-30(3,4)5/h9-12,17H,13-16H2,1-8H3,(H,33,34,35)
InChIKeyYXGPGICZSCZEEL-UHFFFAOYSA-N
MW602.70 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate

tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate (PubChem CID 66600043) has the molecular formula C31H38N8O5 and a molecular weight of 602.70 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate
PubChem CID66600043
Molecular FormulaC31H38N8O5
Molecular Weight602.70 g/mol
Exact Mass602.30
IUPAC Nametert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C31H38N8O5/c1-18-24(19(2)39(36-18)29(42)44-31(6,7)8)22-17-20(11-12-32-22)25(40)27-33-21-9-10-23(34-26(21)35-27)37-13-15-38(16-14-37)28(41)43-30(3,4)5/h9-12,17H,13-16H2,1-8H3,(H,33,34,35)
InChIKeyYXGPGICZSCZEEL-UHFFFAOYSA-N
XLogP4.90
TPSA148.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate (CID 66600043) is tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate is Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3[nH]2)ccn1.
What is the InChIKey of tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate?
The InChIKey is YXGPGICZSCZEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O5/c1-18-24(19(2)39(36-18)29(42)44-31(6,7)8)22-17-20(11-12-32-22)25(40)27-33-21-9-10-23(34-26(21)35-27)37-13-15-38(16-14-37)28(41)43-30(3,4)5/h9-12,17H,13-16H2,1-8H3,(H,33,34,35).
What are the key properties of tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate has a molecular weight of 602.70 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-[3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]pyridine-4-carbonyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 66600043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).