cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol

C82H86N18O8 — CID 87389290

About cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol

cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol (PubChem CID 87389290) has the molecular formula C82H86N18O8 and a molecular weight of 1451.71 g/mol. Its IUPAC name is cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol.

Molecular Properties

• Compound Name: cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol
• PubChem CID: 87389290
• Molecular Formula: C82H86N18O8
• Molecular Weight: 1451.71 g/mol
• Exact Mass: 1450.69
• IUPAC Name: cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol
• SMILES: CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=C(C1CC1)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1
• InChI: InChI=1S/C28H28N6O3.C27H28N6O3.C27H30N6O2/c35-15-14-34(22-4-2-1-3-5-22)26-23-17-33(27(36)20-6-7-20)13-12-24(23)31-28(32-26)30-21-10-8-19(9-11-21)25-16-29-18-37-25;34-15-4-12-32-13-11-24-23(18-32)26(33(14-16-35)22-5-2-1-3-6-22)31-27(30-24)29-21-9-7-20(8-10-21)25-17-28-19-36-25;1-2-13-32-14-12-24-23(18-32)26(33(15-16-34)22-6-4-3-5-7-22)31-27(30-24)29-21-10-8-20(9-11-21)25-17-28-19-35-25/h1-5,8-11,16,18,20,35H,6-7,12-15,17H2,(H,30,31,32);1-3,5-10,15,17,19,35H,4,11-14,16,18H2,(H,29,30,31);3-11,17,19,34H,2,12-16,18H2,1H3,(H,29,30,31)
• InChIKey: AAISAYCYWDFPIP-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 305.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1451.71
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol?

The IUPAC name of cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol (CID 87389290) is cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol.

What is the SMILES notation for cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol?

The canonical SMILES for cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol is CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=C(C1CC1)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=CCCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.

What is the InChIKey of cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol?

The InChIKey is AAISAYCYWDFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3.C27H28N6O3.C27H30N6O2/c35-15-14-34(22-4-2-1-3-5-22)26-23-17-33(27(36)20-6-7-20)13-12-24(23)31-28(32-26)30-21-10-8-19(9-11-21)25-16-29-18-37-25;34-15-4-12-32-13-11-24-23(18-32)26(33(14-16-35)22-5-2-1-3-6-22)31-27(30-24)29-21-9-7-20(8-10-21)25-17-28-19-36-25;1-2-13-32-14-12-24-23(18-32)26(33(15-16-34)22-6-4-3-5-7-22)31-27(30-24)29-21-10-8-20(9-11-21)25-17-28-19-35-25/h1-5,8-11,16,18,20,35H,6-7,12-15,17H2,(H,30,31,32);1-3,5-10,15,17,19,35H,4,11-14,16,18H2,(H,29,30,31);3-11,17,19,34H,2,12-16,18H2,1H3,(H,29,30,31).

What are the key properties of cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol?

cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol has a molecular weight of 1451.71 g/mol, XLogP of 13.03, 27 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone;3-[4-[N-(2-hydroxyethyl)anilino]-2-[4-(1,3-oxazol-5-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanal;2-(N-[2-[4-(1,3-oxazol-5-yl)anilino]-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]anilino)ethanol is sourced from PubChem (CID 87389290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).