tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate

C23H32N6O3 — CID 110269760

About tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 110269760) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
• PubChem CID: 110269760
• Molecular Formula: C23H32N6O3
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.25
• IUPAC Name: tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2cc(Nc3ccccn3)n[nH]2)CC1
• InChI: InChI=1S/C23H32N6O3/c1-23(2,3)32-22(31)28-13-9-16(10-14-28)21(30)29-12-6-7-18(29)17-15-20(27-26-17)25-19-8-4-5-11-24-19/h4-5,8,11,15-16,18H,6-7,9-10,12-14H2,1-3H3,(H2,24,25,26,27)
• InChIKey: JTDZMLUZXCOYQT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate (CID 110269760) is tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2c2cc(Nc3ccccn3)n[nH]2)CC1.

What is the InChIKey of tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate?

The InChIKey is JTDZMLUZXCOYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-23(2,3)32-22(31)28-13-9-16(10-14-28)21(30)29-12-6-7-18(29)17-15-20(27-26-17)25-19-8-4-5-11-24-19/h4-5,8,11,15-16,18H,6-7,9-10,12-14H2,1-3H3,(H2,24,25,26,27).

What are the key properties of tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate?

tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 440.55 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 110269760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).