tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C46H66N8O9 — CID 157173507

About tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 157173507) has the molecular formula C46H66N8O9 and a molecular weight of 875.08 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

• Compound Name: tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
• PubChem CID: 157173507
• Molecular Formula: C46H66N8O9
• Molecular Weight: 875.08 g/mol
• Exact Mass: 874.50
• IUPAC Name: tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
• SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)O.OC(c1c(C2CC2)ccn2cncc12)C1CCCNC1
• InChI: InChI=1S/C23H32N4O4.C16H21N3O.C7H13NO4/c1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;20-16(12-2-1-6-17-8-12)15-13(11-3-4-11)5-7-19-10-18-9-14(15)19;1-7(2,3)12-6(11)8-4-5(9)10/h8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);5,7,9-12,16-17,20H,1-4,6,8H2;4H2,1-3H3,(H,8,11)(H,9,10)
• InChIKey: ANTALDYZMUYIGY-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 221.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	875.08
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?

The IUPAC name of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 157173507) is tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

What is the SMILES notation for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?

The canonical SMILES for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)O.OC(c1c(C2CC2)ccn2cncc12)C1CCCNC1.

What is the InChIKey of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?

The InChIKey is ANTALDYZMUYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4.C16H21N3O.C7H13NO4/c1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;20-16(12-2-1-6-17-8-12)15-13(11-3-4-11)5-7-19-10-18-9-14(15)19;1-7(2,3)12-6(11)8-4-5(9)10/h8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);5,7,9-12,16-17,20H,1-4,6,8H2;4H2,1-3H3,(H,8,11)(H,9,10).

What are the key properties of tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?

tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 875.08 g/mol, XLogP of 5.85, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 157173507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).