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

C24H23FN4O2 — CID 129017997

IUPACN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide
SMILESCCC(=O)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1
InChIInChI=1S/C24H23FN4O2/c1-2-21(30)29(24(31)16-5-6-16)20-14-17(11-12-26-20)22-19-4-3-13-28(19)27-23(22)15-7-9-18(25)10-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKeyKGOYFLOWKTXBBK-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.38
Rot. Bonds5

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

N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide (PubChem CID 129017997) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide
PubChem CID129017997
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide
SMILESCCC(=O)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1
InChIInChI=1S/C24H23FN4O2/c1-2-21(30)29(24(31)16-5-6-16)20-14-17(11-12-26-20)22-19-4-3-13-28(19)27-23(22)15-7-9-18(25)10-8-15/h7-12,14,16H,2-6,13H2,1H3
InChIKeyKGOYFLOWKTXBBK-UHFFFAOYSA-N
XLogP4.38
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-N-propanoylcyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide (CID 129017997) is N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide is CCC(=O)N(C(=O)C1CC1)c1cc(-c2c(-c3ccc(F)cc3)nn3c2CCC3)ccn1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide?
The InChIKey is KGOYFLOWKTXBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-21(30)29(24(31)16-5-6-16)20-14-17(11-12-26-20)22-19-4-3-13-28(19)27-23(22)15-7-9-18(25)10-8-15/h7-12,14,16H,2-6,13H2,1H3.
What are the key properties of N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide?
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-N-propanoylcyclopropanecarboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-N-propanoylcyclopropanecarboxamide is sourced from PubChem (CID 129017997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).