6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine

C24H30ClFN4O — CID 137408729

IUPAC6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1
InChIInChI=1S/C24H30ClFN4O/c25-21-2-1-19(26)13-20(21)22-3-4-23(29-28-22)27-15-18-14-24(18)7-9-30(10-8-24)16-17-5-11-31-12-6-17/h1-4,13,17-18H,5-12,14-16H2,(H,27,29)/t18-/m0/s1
InChIKeyNORLOFDPLORONC-SFHVURJKSA-N
MW444.98 g/mol
LogP4.88
Rot. Bonds6

About 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine

6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine (PubChem CID 137408729) has the molecular formula C24H30ClFN4O and a molecular weight of 444.98 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
PubChem CID137408729
Molecular FormulaC24H30ClFN4O
Molecular Weight444.98 g/mol
Exact Mass444.21
IUPAC Name6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1
InChIInChI=1S/C24H30ClFN4O/c25-21-2-1-19(26)13-20(21)22-3-4-23(29-28-22)27-15-18-14-24(18)7-9-30(10-8-24)16-17-5-11-31-12-6-17/h1-4,13,17-18H,5-12,14-16H2,(H,27,29)/t18-/m0/s1
InChIKeyNORLOFDPLORONC-SFHVURJKSA-N
XLogP4.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine (CID 137408729) is 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine is Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
The InChIKey is NORLOFDPLORONC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30ClFN4O/c25-21-2-1-19(26)13-20(21)22-3-4-23(29-28-22)27-15-18-14-24(18)7-9-30(10-8-24)16-17-5-11-31-12-6-17/h1-4,13,17-18H,5-12,14-16H2,(H,27,29)/t18-/m0/s1.
What are the key properties of 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine?
6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine has a molecular weight of 444.98 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-N-[[(2R)-6-(oxan-4-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 137408729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).