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

C30H33F2N7O3 — CID 155770143

IUPACN-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)nc1)C2
InChIInChI=1S/C30H33F2N7O3/c1-20(40)38-12-10-29(11-13-38)18-39(19-29)23-4-3-22(33-16-23)15-35-28(41)30(8-9-30)25-6-7-26(37-36-25)42-17-21-2-5-24(27(31)32)34-14-21/h2-7,14,16,27H,8-13,15,17-19H2,1H3,(H,35,41)
InChIKeyFOGBBTJFZAJTQL-UHFFFAOYSA-N
MW577.64 g/mol
LogP3.58
Rot. Bonds9

About N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 155770143) has the molecular formula C30H33F2N7O3 and a molecular weight of 577.64 g/mol. Its IUPAC name is N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
PubChem CID155770143
Molecular FormulaC30H33F2N7O3
Molecular Weight577.64 g/mol
Exact Mass577.26
IUPAC NameN-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)nc1)C2
InChIInChI=1S/C30H33F2N7O3/c1-20(40)38-12-10-29(11-13-38)18-39(19-29)23-4-3-22(33-16-23)15-35-28(41)30(8-9-30)25-6-7-26(37-36-25)42-17-21-2-5-24(27(31)32)34-14-21/h2-7,14,16,27H,8-13,15,17-19H2,1H3,(H,35,41)
InChIKeyFOGBBTJFZAJTQL-UHFFFAOYSA-N
XLogP3.58
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.64
LogP ≤ 53.58
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-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (CID 155770143) is N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is CC(=O)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is FOGBBTJFZAJTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N7O3/c1-20(40)38-12-10-29(11-13-38)18-39(19-29)23-4-3-22(33-16-23)15-35-28(41)30(8-9-30)25-6-7-26(37-36-25)42-17-21-2-5-24(27(31)32)34-14-21/h2-7,14,16,27H,8-13,15,17-19H2,1H3,(H,35,41).
What are the key properties of N-[[5-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]methyl]-1-[6-[[6-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 577.64 g/mol, XLogP of 3.58, 9 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-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155770143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).