N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane

C29H37FN4O3 — CID 158669357

IUPACN-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane
SMILESC.C.C.COc1ccc([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](C)NC(=O)C2CC2)cn1
InChIInChI=1S/C26H25FN4O3.3CH4/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21;;;/h5-17,25H,3-4H2,1-2H3,(H,30,32);3*1H4/t16-,25-;;;/m1.../s1
InChIKeyIDTIOTDMLLAKOA-TWQFVZQDSA-N
MW508.64 g/mol
LogP6.51
Rot. Bonds8

About N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane

N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane (PubChem CID 158669357) has the molecular formula C29H37FN4O3 and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane.

Molecular Properties

Compound NameN-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane
PubChem CID158669357
Molecular FormulaC29H37FN4O3
Molecular Weight508.64 g/mol
Exact Mass508.28
IUPAC NameN-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane
SMILESC.C.C.COc1ccc([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](C)NC(=O)C2CC2)cn1
InChIInChI=1S/C26H25FN4O3.3CH4/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21;;;/h5-17,25H,3-4H2,1-2H3,(H,30,32);3*1H4/t16-,25-;;;/m1.../s1
InChIKeyIDTIOTDMLLAKOA-TWQFVZQDSA-N
XLogP6.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane?
The IUPAC name of N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane (CID 158669357) is N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane.
What is the SMILES notation for N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane?
The canonical SMILES for N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane is C.C.C.COc1ccc([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](C)NC(=O)C2CC2)cn1.
What is the InChIKey of N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane?
The InChIKey is IDTIOTDMLLAKOA-TWQFVZQDSA-N. The full InChI is InChI=1S/C26H25FN4O3.3CH4/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21;;;/h5-17,25H,3-4H2,1-2H3,(H,30,32);3*1H4/t16-,25-;;;/m1.../s1.
What are the key properties of N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane?
N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane has a molecular weight of 508.64 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)propan-2-yl]cyclopropanecarboxamide;methane is sourced from PubChem (CID 158669357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).