tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate

C27H36N8O5 — CID 137449291

About tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate

tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 137449291) has the molecular formula C27H36N8O5 and a molecular weight of 552.64 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
• PubChem CID: 137449291
• Molecular Formula: C27H36N8O5
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.28
• IUPAC Name: tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
• SMILES: COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC3)c2n1
• InChI: InChI=1S/C27H36N8O5/c1-27(2,3)40-26(37)34(11-10-33-12-14-39-15-13-33)22-16-21(31-20-6-5-9-28-25(20)38-4)32-23-19(17-29-35(22)23)24(36)30-18-7-8-18/h5-6,9,16-18H,7-8,10-15H2,1-4H3,(H,30,36)(H,31,32)
• InChIKey: LZBMNMVPFSAKGO-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 135.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?

The IUPAC name of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate (CID 137449291) is tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate.

What is the SMILES notation for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?

The canonical SMILES for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate is COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC3)c2n1.

What is the InChIKey of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?

The InChIKey is LZBMNMVPFSAKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O5/c1-27(2,3)40-26(37)34(11-10-33-12-14-39-15-13-33)22-16-21(31-20-6-5-9-28-25(20)38-4)32-23-19(17-29-35(22)23)24(36)30-18-7-8-18/h5-6,9,16-18H,7-8,10-15H2,1-4H3,(H,30,36)(H,31,32).

What are the key properties of tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate?

tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 552.64 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 137449291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).