N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C25H35FN6O2 — CID 157029322

About N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029322) has the molecular formula C25H35FN6O2 and a molecular weight of 470.59 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
• PubChem CID: 157029322
• Molecular Formula: C25H35FN6O2
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.28
• IUPAC Name: N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
• SMILES: CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCCN3CC[C@@H](F)C3)ccn2)nc2c1CCC2
• InChI: InChI=1S/C25H35FN6O2/c1-25(2,3)30-22(33)16-31(4)24-19-6-5-7-20(19)28-23(29-24)21-14-18(8-10-27-21)34-13-12-32-11-9-17(26)15-32/h8,10,14,17H,5-7,9,11-13,15-16H2,1-4H3,(H,30,33)/t17-/m1/s1
• InChIKey: ZWMWCVFHPTXATG-QGZVFWFLSA-N
• XLogP: 2.80
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The IUPAC name of N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 157029322) is N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

What is the SMILES notation for N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The canonical SMILES for N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(OCCN3CC[C@@H](F)C3)ccn2)nc2c1CCC2.

What is the InChIKey of N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

The InChIKey is ZWMWCVFHPTXATG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H35FN6O2/c1-25(2,3)30-22(33)16-31(4)24-19-6-5-7-20(19)28-23(29-24)21-14-18(8-10-27-21)34-13-12-32-11-9-17(26)15-32/h8,10,14,17H,5-7,9,11-13,15-16H2,1-4H3,(H,30,33)/t17-/m1/s1.

What are the key properties of N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?

N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 470.59 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[2-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).