tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C30H35N7O5 — CID 167694807

About tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 167694807) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 167694807
• Molecular Formula: C30H35N7O5
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.27
• IUPAC Name: tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CO[C@H]1CC[C@@H]1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(C)nc4)c3=O)nc12
• InChI: InChI=1S/C30H35N7O5/c1-18-9-11-20(16-31-18)36-13-7-8-22(28(36)39)33-25-15-26(35(5)29(40)42-30(2,3)4)37-27(34-25)21(17-32-37)23(38)14-19-10-12-24(19)41-6/h7-9,11,13,15-17,19,24H,10,12,14H2,1-6H3,(H,33,34)/t19-,24+/m1/s1
• InChIKey: LEDPGLQPRMJPPH-DVECYGJZSA-N
• XLogP: 4.70
• TPSA: 132.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 167694807) is tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CO[C@H]1CC[C@@H]1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(C)nc4)c3=O)nc12.

What is the InChIKey of tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is LEDPGLQPRMJPPH-DVECYGJZSA-N. The full InChI is InChI=1S/C30H35N7O5/c1-18-9-11-20(16-31-18)36-13-7-8-22(28(36)39)33-25-15-26(35(5)29(40)42-30(2,3)4)37-27(34-25)21(17-32-37)23(38)14-19-10-12-24(19)41-6/h7-9,11,13,15-17,19,24H,10,12,14H2,1-6H3,(H,33,34)/t19-,24+/m1/s1.

What are the key properties of tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 573.65 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[2-[(1R,2S)-2-methoxycyclobutyl]acetyl]-5-[[1-(6-methyl-3-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 167694807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).