6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C24H23FN6O2 — CID 174164962

IUPAC6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCc1c(N2CC[C@@H](Oc3cccc(C#N)c3)[C@@H](F)C2)nnc(C(N)=O)c1Cc1ccncc1
InChIInChI=1S/C24H23FN6O2/c1-15-19(12-16-5-8-28-9-6-16)22(23(27)32)29-30-24(15)31-10-7-21(20(25)14-31)33-18-4-2-3-17(11-18)13-26/h2-6,8-9,11,20-21H,7,10,12,14H2,1H3,(H2,27,32)/t20-,21+/m0/s1
InChIKeyQUAMCDQMWOPZBJ-LEWJYISDSA-N
MW446.49 g/mol
LogP2.74
Rot. Bonds6

About 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 174164962) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID174164962
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESCc1c(N2CC[C@@H](Oc3cccc(C#N)c3)[C@@H](F)C2)nnc(C(N)=O)c1Cc1ccncc1
InChIInChI=1S/C24H23FN6O2/c1-15-19(12-16-5-8-28-9-6-16)22(23(27)32)29-30-24(15)31-10-7-21(20(25)14-31)33-18-4-2-3-17(11-18)13-26/h2-6,8-9,11,20-21H,7,10,12,14H2,1H3,(H2,27,32)/t20-,21+/m0/s1
InChIKeyQUAMCDQMWOPZBJ-LEWJYISDSA-N
XLogP2.74
TPSA118.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 174164962) is 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is Cc1c(N2CC[C@@H](Oc3cccc(C#N)c3)[C@@H](F)C2)nnc(C(N)=O)c1Cc1ccncc1.
What is the InChIKey of 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is QUAMCDQMWOPZBJ-LEWJYISDSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-15-19(12-16-5-8-28-9-6-16)22(23(27)32)29-30-24(15)31-10-7-21(20(25)14-31)33-18-4-2-3-17(11-18)13-26/h2-6,8-9,11,20-21H,7,10,12,14H2,1H3,(H2,27,32)/t20-,21+/m0/s1.
What are the key properties of 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-4-(3-cyanophenoxy)-3-fluoropiperidin-1-yl]-5-methyl-4-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 174164962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).