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

C26H35N7O5 — CID 137457762

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

tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 137457762) has the molecular formula C26H35N7O5 and a molecular weight of 525.61 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 137457762
• Molecular Formula: C26H35N7O5
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.27
• IUPAC Name: tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CC[C@H](O)C4)c3n2)c1=O
• InChI: InChI=1S/C26H35N7O5/c1-15(2)32-11-7-8-19(24(32)36)29-20-13-21(31(6)25(37)38-26(3,4)5)33-22(30-20)18(14-27-33)23(35)28-16-9-10-17(34)12-16/h7-8,11,13-17,34H,9-10,12H2,1-6H3,(H,28,35)(H,29,30)/t16-,17+/m1/s1
• InChIKey: CNIOQSOXJGBKJD-SJORKVTESA-N
• XLogP: 3.23
• TPSA: 143.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 137457762) is tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

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

The canonical SMILES for tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CC(C)n1cccc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)N[C@@H]4CC[C@H](O)C4)c3n2)c1=O.

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

The InChIKey is CNIOQSOXJGBKJD-SJORKVTESA-N. The full InChI is InChI=1S/C26H35N7O5/c1-15(2)32-11-7-8-19(24(32)36)29-20-13-21(31(6)25(37)38-26(3,4)5)33-22(30-20)18(14-27-33)23(35)28-16-9-10-17(34)12-16/h7-8,11,13-17,34H,9-10,12H2,1-6H3,(H,28,35)(H,29,30)/t16-,17+/m1/s1.

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

tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 525.61 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[[(1R,3S)-3-hydroxycyclopentyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 137457762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).