tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C27H33N7O4 — CID 171091177

About tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 171091177) has the molecular formula C27H33N7O4 and a molecular weight of 519.61 g/mol. Its IUPAC name is tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 171091177
• Molecular Formula: C27H33N7O4
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.26
• IUPAC Name: tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: Cc1cnc2c(N)ccc(-c3cn(C4CC4)c4ncnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c34)n12
• InChI: InChI=1S/C27H33N7O4/c1-15-12-29-21-18(28)10-11-19(33(15)21)17-13-32(16-8-9-16)22-20(17)23(31-14-30-22)34(24(35)37-26(2,3)4)25(36)38-27(5,6)7/h10-14,16H,8-9,28H2,1-7H3
• InChIKey: JNLLLHGDWXYTHS-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 129.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 171091177) is tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is Cc1cnc2c(N)ccc(-c3cn(C4CC4)c4ncnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c34)n12.

What is the InChIKey of tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is JNLLLHGDWXYTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O4/c1-15-12-29-21-18(28)10-11-19(33(15)21)17-13-32(16-8-9-16)22-20(17)23(31-14-30-22)34(24(35)37-26(2,3)4)25(36)38-27(5,6)7/h10-14,16H,8-9,28H2,1-7H3.

What are the key properties of tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 519.61 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-(8-amino-3-methylimidazo[1,2-a]pyridin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 171091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).