9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate

C24H21ClN4O4 — CID 170834414

About 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834414) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170834414
• Molecular Formula: C24H21ClN4O4
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.13
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1cnn2ccc(Cl)nc12)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C24H21ClN4O4/c25-21-9-10-29-23(28-21)18(11-27-29)22(31)20(30)12-26-24(32)33-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19-20,22,30-31H,12-13H2,(H,26,32)
• InChIKey: CZDHZZBNSAZJNV-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 108.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate (CID 170834414) is 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cnn2ccc(Cl)nc12)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate?

The InChIKey is CZDHZZBNSAZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c25-21-9-10-29-23(28-21)18(11-27-29)22(31)20(30)12-26-24(32)33-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19-20,22,30-31H,12-13H2,(H,26,32).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 464.91 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).