tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

C32H36N10O3 — CID 123637248

IUPACtert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc3ncc(C(O)Cn4ncc5ncc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cc54)n3c2)cn1
InChIInChI=1S/C32H36N10O3/c1-32(2,3)45-31(44)39-9-7-25(8-10-39)41-19-24(14-36-41)22-11-27-26(33-12-22)15-37-42(27)20-29(43)28-16-34-30-6-5-21(18-40(28)30)23-13-35-38(4)17-23/h5-6,11-19,25,29,43H,7-10,20H2,1-4H3
InChIKeyAKXRDSYBDLNFHB-UHFFFAOYSA-N
MW608.71 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 123637248) has the molecular formula C32H36N10O3 and a molecular weight of 608.71 g/mol. Its IUPAC name is tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID123637248
Molecular FormulaC32H36N10O3
Molecular Weight608.71 g/mol
Exact Mass608.30
IUPAC Nametert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc3ncc(C(O)Cn4ncc5ncc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cc54)n3c2)cn1
InChIInChI=1S/C32H36N10O3/c1-32(2,3)45-31(44)39-9-7-25(8-10-39)41-19-24(14-36-41)22-11-27-26(33-12-22)15-37-42(27)20-29(43)28-16-34-30-6-5-21(18-40(28)30)23-13-35-38(4)17-23/h5-6,11-19,25,29,43H,7-10,20H2,1-4H3
InChIKeyAKXRDSYBDLNFHB-UHFFFAOYSA-N
XLogP4.65
TPSA133.42 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.71
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-[1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 121339210
tert-butyl 4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 90288181
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 58532272
tert-butyl 4-(4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl)piperidine-1-carboxylate
CID 67442823
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
tert-butyl (3R)-3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 90288629
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769
tert-butyl 4-[4-(6-bromonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172868843
tert-butyl 4-[4-[6-amino-5-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118110212

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 123637248) is tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is Cn1cc(-c2ccc3ncc(C(O)Cn4ncc5ncc(-c6cnn(C7CCN(C(=O)OC(C)(C)C)CC7)c6)cc54)n3c2)cn1.
What is the InChIKey of tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is AKXRDSYBDLNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N10O3/c1-32(2,3)45-31(44)39-9-7-25(8-10-39)41-19-24(14-36-41)22-11-27-26(33-12-22)15-37-42(27)20-29(43)28-16-34-30-6-5-21(18-40(28)30)23-13-35-38(4)17-23/h5-6,11-19,25,29,43H,7-10,20H2,1-4H3.
What are the key properties of tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 608.71 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[1-[2-hydroxy-2-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]ethyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 123637248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).