1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one

C32H31N7O3 — CID 142612116

About 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one

1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one (PubChem CID 142612116) has the molecular formula C32H31N7O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
• PubChem CID: 142612116
• Molecular Formula: C32H31N7O3
• Molecular Weight: 561.65 g/mol
• Exact Mass: 561.25
• IUPAC Name: 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one
• SMILES: CC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cncc(N4CCN(Cc5cccc(N)c5)C4=O)c3)cc21
• InChI: InChI=1S/C32H31N7O3/c1-20-27-15-30(35-18-28(27)26-8-7-24(14-29(26)42-20)38-9-3-6-31(38)40)36-23-13-25(17-34-16-23)39-11-10-37(32(39)41)19-21-4-2-5-22(33)12-21/h2,4-5,7-8,12-18,20H,3,6,9-11,19,33H2,1H3,(H,35,36)
• InChIKey: QSNHFRKQYUOVPF-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 116.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.65
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?

The IUPAC name of 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one (CID 142612116) is 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?

The canonical SMILES for 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one is CC1Oc2cc(N3CCCC3=O)ccc2-c2cnc(Nc3cncc(N4CCN(Cc5cccc(N)c5)C4=O)c3)cc21.

What is the InChIKey of 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?

The InChIKey is QSNHFRKQYUOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O3/c1-20-27-15-30(35-18-28(27)26-8-7-24(14-29(26)42-20)38-9-3-6-31(38)40)36-23-13-25(17-34-16-23)39-11-10-37(32(39)41)19-21-4-2-5-22(33)12-21/h2,4-5,7-8,12-18,20H,3,6,9-11,19,33H2,1H3,(H,35,36).

What are the key properties of 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one?

1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one has a molecular weight of 561.65 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-aminophenyl)methyl]-3-[5-[[5-methyl-8-(2-oxopyrrolidin-1-yl)-5H-chromeno[4,3-c]pyridin-3-yl]amino]-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 142612116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).