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

C30H40N6O6 — CID 153486229

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

tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 153486229) has the molecular formula C30H40N6O6 and a molecular weight of 580.69 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 153486229
• Molecular Formula: C30H40N6O6
• Molecular Weight: 580.69 g/mol
• Exact Mass: 580.30
• IUPAC Name: tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CO[C@@H]1CC[C@@H](CC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn([C@@H]5CCC[C@@H]5O)c4=O)nc23)C1
• InChI: InChI=1S/C30H40N6O6/c1-30(2,3)42-29(40)34(4)26-16-25(32-21-8-7-13-35(28(21)39)22-9-6-10-23(22)37)33-27-20(17-31-36(26)27)24(38)15-18-11-12-19(14-18)41-5/h7-8,13,16-19,22-23,37H,6,9-12,14-15H2,1-5H3,(H,32,33)/t18-,19-,22-,23+/m1/s1
• InChIKey: GMCOWLPLOHSQBM-NNLJWKLDSA-N
• XLogP: 4.48
• TPSA: 140.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.69
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 153486229) is tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

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

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

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

The InChIKey is GMCOWLPLOHSQBM-NNLJWKLDSA-N. The full InChI is InChI=1S/C30H40N6O6/c1-30(2,3)42-29(40)34(4)26-16-25(32-21-8-7-13-35(28(21)39)22-9-6-10-23(22)37)33-27-20(17-31-36(26)27)24(38)15-18-11-12-19(14-18)41-5/h7-8,13,16-19,22-23,37H,6,9-12,14-15H2,1-5H3,(H,32,33)/t18-,19-,22-,23+/m1/s1.

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

tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 580.69 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 153486229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).