N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide

C22H21FN4O — CID 129017972

IUPACN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1)C1CCC1
InChIInChI=1S/C22H21FN4O/c23-17-8-6-14(7-9-17)21-20(18-5-2-12-27(18)26-21)16-10-11-24-19(13-16)25-22(28)15-3-1-4-15/h6-11,13,15H,1-5,12H2,(H,24,25,28)
InChIKeyCUTPZHVIPGFHTK-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.44
Rot. Bonds4

About N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide

N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 129017972) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID129017972
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1)C1CCC1
InChIInChI=1S/C22H21FN4O/c23-17-8-6-14(7-9-17)21-20(18-5-2-12-27(18)26-21)16-10-11-24-19(13-16)25-22(28)15-3-1-4-15/h6-11,13,15H,1-5,12H2,(H,24,25,28)
InChIKeyCUTPZHVIPGFHTK-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide (CID 129017972) is N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1)C1CCC1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is CUTPZHVIPGFHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-8-6-14(7-9-17)21-20(18-5-2-12-27(18)26-21)16-10-11-24-19(13-16)25-22(28)15-3-1-4-15/h6-11,13,15H,1-5,12H2,(H,24,25,28).
What are the key properties of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide?
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 129017972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).