N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide

C25H20FN5O2 — CID 135220619

IUPACN-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3cccnc23)ccn1
InChIInChI=1S/C25H20FN5O2/c26-19-8-6-15(7-9-19)22-21(23-28-11-1-13-30(23)29-22)18-10-12-27-20(14-18)31(24(32)16-2-3-16)25(33)17-4-5-17/h1,6-14,16-17H,2-5H2
InChIKeyONTFMMBGHFRXKV-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.28
Rot. Bonds5

About N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide

N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 135220619) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID135220619
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC NameN-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3cccnc23)ccn1
InChIInChI=1S/C25H20FN5O2/c26-19-8-6-15(7-9-19)22-21(23-28-11-1-13-30(23)29-22)18-10-12-27-20(14-18)31(24(32)16-2-3-16)25(33)17-4-5-17/h1,6-14,16-17H,2-5H2
InChIKeyONTFMMBGHFRXKV-UHFFFAOYSA-N
XLogP4.28
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 135220619) is N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(C1CC1)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3cccnc23)ccn1.
What is the InChIKey of N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ONTFMMBGHFRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c26-19-8-6-15(7-9-19)22-21(23-28-11-1-13-30(23)29-22)18-10-12-27-20(14-18)31(24(32)16-2-3-16)25(33)17-4-5-17/h1,6-14,16-17H,2-5H2.
What are the key properties of N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropanecarbonyl)-N-[4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 135220619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).