tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate

C32H36F2N6O3 — CID 156747898

About tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate (PubChem CID 156747898) has the molecular formula C32H36F2N6O3 and a molecular weight of 590.68 g/mol. Its IUPAC name is tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate
• PubChem CID: 156747898
• Molecular Formula: C32H36F2N6O3
• Molecular Weight: 590.68 g/mol
• Exact Mass: 590.28
• IUPAC Name: tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cc(F)c(-c3ccccc3F)nc21
• InChI: InChI=1S/C32H36F2N6O3/c1-18(2)25-27(19(3)11-14-35-25)40-29-22(17-24(34)26(37-29)21-9-7-8-10-23(21)33)28(38-30(40)41)39-15-12-20(13-16-39)36-31(42)43-32(4,5)6/h7-11,14,17-18,20H,12-13,15-16H2,1-6H3,(H,36,42)
• InChIKey: FKYBBFNLUOKGDG-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.68
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate (CID 156747898) is tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate is Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cc(F)c(-c3ccccc3F)nc21.

What is the InChIKey of tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate?

The InChIKey is FKYBBFNLUOKGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N6O3/c1-18(2)25-27(19(3)11-14-35-25)40-29-22(17-24(34)26(37-29)21-9-7-8-10-23(21)33)28(38-30(40)41)39-15-12-20(13-16-39)36-31(42)43-32(4,5)6/h7-11,14,17-18,20H,12-13,15-16H2,1-6H3,(H,36,42).

What are the key properties of tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate?

tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate has a molecular weight of 590.68 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 156747898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).