N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde

C76H58Br2Cl4F4N20O12 — CID 158232517

About N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde (PubChem CID 158232517) has the molecular formula C76H58Br2Cl4F4N20O12 and a molecular weight of 1821.04 g/mol. Its IUPAC name is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde.

Molecular Properties

• Compound Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde
• PubChem CID: 158232517
• Molecular Formula: C76H58Br2Cl4F4N20O12
• Molecular Weight: 1821.04 g/mol
• Exact Mass: 1816.16
• IUPAC Name: N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde
• SMILES: NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(NC(=O)C2CC2)ncn1.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Br)c2=O.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.O=Cc1cccc(F)c1
• InChI: InChI=1S/2C21H16ClFN6O3.C13H7BrClFN2O2.C8H10N4O.C7H5FO.C6H4BrClN2O2/c2*22-13-7-14(26-15-8-16(25-9-24-15)27-19(30)10-4-5-10)21(32)29-17(13)20(31)28-18(29)11-2-1-3-12(23)6-11;14-8-5-9(15)10-12(19)17-11(18(10)13(8)20)6-2-1-3-7(16)4-6;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;8-7-3-1-2-6(4-7)5-9;7-2-1-3(8)4(5(9)11)10-6(2)12/h2*1-3,6-10,18H,4-5H2,(H,28,31)(H2,24,25,26,27,30);1-5,11H,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13);1-5H;1H,(H2,9,11)(H,10,12)
• InChIKey: GEOBIIWTLMXEIZ-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 461.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1821.04
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde?

The IUPAC name of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde (CID 158232517) is N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde.

What is the SMILES notation for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde?

The canonical SMILES for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde is NC(=O)c1[nH]c(=O)c(Br)cc1Cl.Nc1cc(NC(=O)C2CC2)ncn1.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Br)c2=O.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.O=C1NC(c2cccc(F)c2)n2c1c(Cl)cc(Nc1cc(NC(=O)C3CC3)ncn1)c2=O.O=Cc1cccc(F)c1.

What is the InChIKey of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde?

The InChIKey is GEOBIIWTLMXEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClFN6O3.C13H7BrClFN2O2.C8H10N4O.C7H5FO.C6H4BrClN2O2/c2*22-13-7-14(26-15-8-16(25-9-24-15)27-19(30)10-4-5-10)21(32)29-17(13)20(31)28-18(29)11-2-1-3-12(23)6-11;14-8-5-9(15)10-12(19)17-11(18(10)13(8)20)6-2-1-3-7(16)4-6;9-6-3-7(11-4-10-6)12-8(13)5-1-2-5;8-7-3-1-2-6(4-7)5-9;7-2-1-3(8)4(5(9)11)10-6(2)12/h2*1-3,6-10,18H,4-5H2,(H,28,31)(H2,24,25,26,27,30);1-5,11H,(H,17,19);3-5H,1-2H2,(H3,9,10,11,12,13);1-5H;1H,(H2,9,11)(H,10,12).

What are the key properties of N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde?

N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde has a molecular weight of 1821.04 g/mol, XLogP of 11.26, 15 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chloro-3-(3-fluorophenyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione;5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxamide;bis(N-[6-[[8-chloro-3-(3-fluorophenyl)-1,5-dioxo-2,3-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide);3-fluorobenzaldehyde is sourced from PubChem (CID 158232517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).