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

C32H32ClN5O6 — CID 146573746

About 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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-methoxyphenyl)-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 146573746) has the molecular formula C32H32ClN5O6 and a molecular weight of 618.09 g/mol. Its IUPAC name is 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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-methoxyphenyl)-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: 146573746
• Molecular Formula: C32H32ClN5O6
• Molecular Weight: 618.09 g/mol
• Exact Mass: 617.20
• IUPAC Name: 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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(OC)c2Cl)cn(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)c1=O
• InChI: InChI=1S/C32H32ClN5O6/c1-19(18-43-2)38-31(41)25(24-7-6-8-26(44-3)29(24)33)16-37(32(38)42)17-28(39)35-23-11-10-20-13-22(14-21(20)15-23)30(40)36-27-9-4-5-12-34-27/h4-12,15-16,19,22H,13-14,17-18H2,1-3H3,(H,35,39)(H,34,36,40)/t19-,22?/m1/s1
• InChIKey: RYFHTCHYCNEZOZ-LCQOSCCDSA-N
• XLogP: 3.93
• TPSA: 133.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.09
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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-methoxyphenyl)-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 146573746) is 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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(OC)c2Cl)cn(CC(=O)Nc2ccc3c(c2)CC(C(=O)Nc2ccccn2)C3)c1=O.

What is the InChIKey of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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 RYFHTCHYCNEZOZ-LCQOSCCDSA-N. The full InChI is InChI=1S/C32H32ClN5O6/c1-19(18-43-2)38-31(41)25(24-7-6-8-26(44-3)29(24)33)16-37(32(38)42)17-28(39)35-23-11-10-20-13-22(14-21(20)15-23)30(40)36-27-9-4-5-12-34-27/h4-12,15-16,19,22H,13-14,17-18H2,1-3H3,(H,35,39)(H,34,36,40)/t19-,22?/m1/s1.

What are the key properties of 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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-methoxyphenyl)-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 618.09 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[5-(2-chloro-3-methoxyphenyl)-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 146573746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).