tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C29H34N8O5 — CID 153486331

About tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 153486331) has the molecular formula C29H34N8O5 and a molecular weight of 574.64 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 153486331
• Molecular Formula: C29H34N8O5
• Molecular Weight: 574.64 g/mol
• Exact Mass: 574.27
• IUPAC Name: tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CO[C@H]1CC[C@H](NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(-c5ccccn5)c4=O)nc23)C1
• InChI: InChI=1S/C29H34N8O5/c1-29(2,3)42-28(40)35(4)24-16-22(33-21-9-8-14-36(27(21)39)23-10-6-7-13-30-23)34-25-20(17-31-37(24)25)26(38)32-18-11-12-19(15-18)41-5/h6-10,13-14,16-19H,11-12,15H2,1-5H3,(H,32,38)(H,33,34)/t18-,19-/m0/s1
• InChIKey: SMICNULOBMHSSD-OALUTQOASA-N
• XLogP: 3.69
• TPSA: 144.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.64
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 153486331) is tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CO[C@H]1CC[C@H](NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(-c5ccccn5)c4=O)nc23)C1.

What is the InChIKey of tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is SMICNULOBMHSSD-OALUTQOASA-N. The full InChI is InChI=1S/C29H34N8O5/c1-29(2,3)42-28(40)35(4)24-16-22(33-21-9-8-14-36(27(21)39)23-10-6-7-13-30-23)34-25-20(17-31-37(24)25)26(38)32-18-11-12-19(15-18)41-5/h6-10,13-14,16-19H,11-12,15H2,1-5H3,(H,32,38)(H,33,34)/t18-,19-/m0/s1.

What are the key properties of tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 574.64 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[[(1S,3S)-3-methoxycyclopentyl]carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 153486331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).