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

C26H29N9O2 — CID 121339210

IUPACtert-butyl 4-[4-[1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6cccnn56)c4c3)cn2)CC1
InChIInChI=1S/C26H29N9O2/c1-26(2,3)37-25(36)32-9-6-20(7-10-32)33-16-19(13-30-33)18-11-23-22(27-12-18)15-31-34(23)17-21-14-28-24-5-4-8-29-35(21)24/h4-5,8,11-16,20H,6-7,9-10,17H2,1-3H3
InChIKeyQRZDTZVGZJSYGE-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.96
Rot. Bonds4

About 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

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 (PubChem CID 121339210) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 4-[4-[1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID121339210
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC Nametert-butyl 4-[4-[1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6cccnn56)c4c3)cn2)CC1
InChIInChI=1S/C26H29N9O2/c1-26(2,3)37-25(36)32-9-6-20(7-10-32)33-16-19(13-30-33)18-11-23-22(27-12-18)15-31-34(23)17-21-14-28-24-5-4-8-29-35(21)24/h4-5,8,11-16,20H,6-7,9-10,17H2,1-3H3
InChIKeyQRZDTZVGZJSYGE-UHFFFAOYSA-N
XLogP3.96
TPSA108.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
tert-butyl 4-[4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 58532272
tert-butyl 4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 90288181
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
tert-butyl 4-(4-imidazo[1,2-a]pyridin-6-ylpyrazol-1-yl)piperidine-1-carboxylate
CID 67442823
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[4-[6-amino-5-(5-pyridin-3-yl-1H-imidazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 141449988
tert-butyl (3R)-3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 90288629
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
tert-butyl 4-[4-[6-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 53487960
tert-butyl 4-[4-(6-bromonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172868843
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6cccnn56)c4c3)cn2)CC1.
What is the InChIKey of 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?
The InChIKey is QRZDTZVGZJSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c1-26(2,3)37-25(36)32-9-6-20(7-10-32)33-16-19(13-30-33)18-11-23-22(27-12-18)15-31-34(23)17-21-14-28-24-5-4-8-29-35(21)24/h4-5,8,11-16,20H,6-7,9-10,17H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 499.58 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121339210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).