tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate

C30H37N7O3 — CID 71254208

IUPACtert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCn1cc(-c2cc3c(-c4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)nn(C4CCCCO4)c3cn2)cn1
InChIInChI=1S/C30H37N7O3/c1-30(2,3)40-29(38)36-13-11-20(12-14-36)23-8-7-9-24(33-23)28-22-16-25(21-17-32-35(4)19-21)31-18-26(22)37(34-28)27-10-5-6-15-39-27/h7-9,16-20,27H,5-6,10-15H2,1-4H3
InChIKeyWWBLCCJQJCLEAW-UHFFFAOYSA-N
MW543.67 g/mol
LogP5.71
Rot. Bonds4

About tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 71254208) has the molecular formula C30H37N7O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID71254208
Molecular FormulaC30H37N7O3
Molecular Weight543.67 g/mol
Exact Mass543.30
IUPAC Nametert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCn1cc(-c2cc3c(-c4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)nn(C4CCCCO4)c3cn2)cn1
InChIInChI=1S/C30H37N7O3/c1-30(2,3)40-29(38)36-13-11-20(12-14-36)23-8-7-9-24(33-23)28-22-16-25(21-17-32-35(4)19-21)31-18-26(22)37(34-28)27-10-5-6-15-39-27/h7-9,16-20,27H,5-6,10-15H2,1-4H3
InChIKeyWWBLCCJQJCLEAW-UHFFFAOYSA-N
XLogP5.71
TPSA100.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-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-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate (CID 71254208) is tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate is Cn1cc(-c2cc3c(-c4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)n4)nn(C4CCCCO4)c3cn2)cn1.
What is the InChIKey of tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is WWBLCCJQJCLEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O3/c1-30(2,3)40-29(38)36-13-11-20(12-14-36)23-8-7-9-24(33-23)28-22-16-25(21-17-32-35(4)19-21)31-18-26(22)37(34-28)27-10-5-6-15-39-27/h7-9,16-20,27H,5-6,10-15H2,1-4H3.
What are the key properties of tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 543.67 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 71254208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).