tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate

C29H36N8O3 — CID 67292528

IUPACtert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C29H36N8O3/c1-17-24(18(2)37(34-17)28(39)40-29(3,4)5)22-16-19(10-13-30-22)25(38)27-31-21-8-9-23(32-26(21)33-27)36-14-11-20(12-15-36)35(6)7/h8-10,13,16,20H,11-12,14-15H2,1-7H3,(H,31,32,33)
InChIKeyWEOITAJAXKFXCN-UHFFFAOYSA-N
MW544.66 g/mol
LogP4.38
Rot. Bonds5

About tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate

tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate (PubChem CID 67292528) has the molecular formula C29H36N8O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate
PubChem CID67292528
Molecular FormulaC29H36N8O3
Molecular Weight544.66 g/mol
Exact Mass544.29
IUPAC Nametert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate
SMILESCc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1
InChIInChI=1S/C29H36N8O3/c1-17-24(18(2)37(34-17)28(39)40-29(3,4)5)22-16-19(10-13-30-22)25(38)27-31-21-8-9-23(32-26(21)33-27)36-14-11-20(12-15-36)35(6)7/h8-10,13,16,20H,11-12,14-15H2,1-7H3,(H,31,32,33)
InChIKeyWEOITAJAXKFXCN-UHFFFAOYSA-N
XLogP4.38
TPSA122.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-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-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate (CID 67292528) is tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate is Cc1nn(C(=O)OC(C)(C)C)c(C)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1.
What is the InChIKey of tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate?
The InChIKey is WEOITAJAXKFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O3/c1-17-24(18(2)37(34-17)28(39)40-29(3,4)5)22-16-19(10-13-30-22)25(38)27-31-21-8-9-23(32-26(21)33-27)36-14-11-20(12-15-36)35(6)7/h8-10,13,16,20H,11-12,14-15H2,1-7H3,(H,31,32,33).
What are the key properties of tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate?
tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate has a molecular weight of 544.66 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]-2-pyridinyl]-3,5-dimethylpyrazole-1-carboxylate is sourced from PubChem (CID 67292528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).