N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide

C25H24BrN5O2 — CID 143089822

About N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 143089822) has the molecular formula C25H24BrN5O2 and a molecular weight of 506.40 g/mol. Its IUPAC name is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide
• PubChem CID: 143089822
• Molecular Formula: C25H24BrN5O2
• Molecular Weight: 506.40 g/mol
• Exact Mass: 505.11
• IUPAC Name: N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide
• SMILES: O=C(NCCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12)C1(c2ccccc2)CC1
• InChI: InChI=1S/C25H24BrN5O2/c26-19-16-29-31-22(15-20(30-23(19)31)18-9-4-5-10-21(18)32)27-13-6-14-28-24(33)25(11-12-25)17-7-2-1-3-8-17/h1-5,7-10,15-16,27,32H,6,11-14H2,(H,28,33)
• InChIKey: NBDSKFDPEXADIC-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 91.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.40
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide?

The IUPAC name of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide (CID 143089822) is N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide?

The canonical SMILES for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCCCNc1cc(-c2ccccc2O)nc2c(Br)cnn12)C1(c2ccccc2)CC1.

What is the InChIKey of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide?

The InChIKey is NBDSKFDPEXADIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O2/c26-19-16-29-31-22(15-20(30-23(19)31)18-9-4-5-10-21(18)32)27-13-6-14-28-24(33)25(11-12-25)17-7-2-1-3-8-17/h1-5,7-10,15-16,27,32H,6,11-14H2,(H,28,33).

What are the key properties of N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide?

N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 506.40 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3-bromo-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 143089822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).