N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide

C25H23FN4O2 — CID 134149846

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-16(29-25(31)17-4-5-17)24(18-3-2-12-27-14-18)32-22-10-11-23-19(13-22)15-28-30(23)21-8-6-20(26)7-9-21/h2-3,6-17,24H,4-5H2,1H3,(H,29,31)/t16-,24-/m0/s1
InChIKeyKZCYBPPLLHCDNC-FYSMJZIKSA-N
MW430.48 g/mol
LogP4.59
Rot. Bonds7

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 134149846) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
PubChem CID134149846
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-16(29-25(31)17-4-5-17)24(18-3-2-12-27-14-18)32-22-10-11-23-19(13-22)15-28-30(23)21-8-6-20(26)7-9-21/h2-3,6-17,24H,4-5H2,1H3,(H,29,31)/t16-,24-/m0/s1
InChIKeyKZCYBPPLLHCDNC-FYSMJZIKSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide (CID 134149846) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide is C[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccnc1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide?
The InChIKey is KZCYBPPLLHCDNC-FYSMJZIKSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16(29-25(31)17-4-5-17)24(18-3-2-12-27-14-18)32-22-10-11-23-19(13-22)15-28-30(23)21-8-6-20(26)7-9-21/h2-3,6-17,24H,4-5H2,1H3,(H,29,31)/t16-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134149846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).