N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide

C30H32F3N7O3 — CID 155770178

IUPACN-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2
InChIInChI=1S/C30H32F3N7O3/c1-20(41)39-12-10-28(11-13-39)18-40(19-28)23-4-3-22(34-16-23)15-36-27(42)29(8-9-29)24-6-7-26(38-37-24)43-17-21-2-5-25(35-14-21)30(31,32)33/h2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42)
InChIKeyIBYIPKQORZHGQB-UHFFFAOYSA-N
MW595.63 g/mol
LogP3.66
Rot. Bonds8

About N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide

N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 155770178) has the molecular formula C30H32F3N7O3 and a molecular weight of 595.63 g/mol. Its IUPAC name is N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
PubChem CID155770178
Molecular FormulaC30H32F3N7O3
Molecular Weight595.63 g/mol
Exact Mass595.25
IUPAC NameN-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2
InChIInChI=1S/C30H32F3N7O3/c1-20(41)39-12-10-28(11-13-39)18-40(19-28)23-4-3-22(34-16-23)15-36-27(42)29(8-9-29)24-6-7-26(38-37-24)43-17-21-2-5-25(35-14-21)30(31,32)33/h2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42)
InChIKeyIBYIPKQORZHGQB-UHFFFAOYSA-N
XLogP3.66
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.63
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 155770178) is N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is CC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)nc1)C2.
What is the InChIKey of N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IBYIPKQORZHGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N7O3/c1-20(41)39-12-10-28(11-13-39)18-40(19-28)23-4-3-22(34-16-23)15-36-27(42)29(8-9-29)24-6-7-26(38-37-24)43-17-21-2-5-25(35-14-21)30(31,32)33/h2-7,14,16H,8-13,15,17-19H2,1H3,(H,36,42).
What are the key properties of N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 595.63 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155770178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).