5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C31H29ClFN5O5 — CID 155112497

About 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 155112497) has the molecular formula C31H29ClFN5O5 and a molecular weight of 606.05 g/mol. Its IUPAC name is 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• PubChem CID: 155112497
• Molecular Formula: C31H29ClFN5O5
• Molecular Weight: 606.05 g/mol
• Exact Mass: 605.18
• IUPAC Name: 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
• SMILES: COC[C@@H](C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)c1=O
• InChI: InChI=1S/C31H29ClFN5O5/c1-18(17-43-2)38-30(41)24(23-6-5-7-25(33)28(23)32)15-37(31(38)42)16-27(39)35-22-10-9-19-12-21(13-20(19)14-22)29(40)36-26-8-3-4-11-34-26/h3-11,14-15,18,21H,12-13,16-17H2,1-2H3,(H,35,39)(H,34,36,40)/t18-,21?/m1/s1
• InChIKey: BNPGJJAXMXIYPI-ITUIMRKVSA-N
• XLogP: 4.06
• TPSA: 124.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.05
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The IUPAC name of 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 155112497) is 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

What is the SMILES notation for 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The canonical SMILES for 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is COC[C@@H](C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)c1=O.

What is the InChIKey of 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

The InChIKey is BNPGJJAXMXIYPI-ITUIMRKVSA-N. The full InChI is InChI=1S/C31H29ClFN5O5/c1-18(17-43-2)38-30(41)24(23-6-5-7-25(33)28(23)32)15-37(31(38)42)16-27(39)35-22-10-9-19-12-21(13-20(19)14-22)29(40)36-26-8-3-4-11-34-26/h3-11,14-15,18,21H,12-13,16-17H2,1-2H3,(H,35,39)(H,34,36,40)/t18-,21?/m1/s1.

What are the key properties of 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?

5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 606.05 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 155112497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).