N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

C24H27F2N5O4 — CID 134588497

IUPACN-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCC(OCC(F)F)CC3)nn2)cn1
InChIInChI=1S/C24H27F2N5O4/c1-14-3-4-16(11-27-14)23-19(15(2)35-31-23)12-34-22-10-9-20(29-30-22)24(32)28-17-5-7-18(8-6-17)33-13-21(25)26/h3-4,9-11,17-18,21H,5-8,12-13H2,1-2H3,(H,28,32)
InChIKeyHGKDOXNPVNADBK-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.05
Rot. Bonds9

About N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 134588497) has the molecular formula C24H27F2N5O4 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
PubChem CID134588497
Molecular FormulaC24H27F2N5O4
Molecular Weight487.51 g/mol
Exact Mass487.20
IUPAC NameN-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCC(OCC(F)F)CC3)nn2)cn1
InChIInChI=1S/C24H27F2N5O4/c1-14-3-4-16(11-27-14)23-19(15(2)35-31-23)12-34-22-10-9-20(29-30-22)24(32)28-17-5-7-18(8-6-17)33-13-21(25)26/h3-4,9-11,17-18,21H,5-8,12-13H2,1-2H3,(H,28,32)
InChIKeyHGKDOXNPVNADBK-UHFFFAOYSA-N
XLogP4.05
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139529922
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588347
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139546813
N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588508
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
CID 134590463
(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
CID 134588483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 134588497) is N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCC(OCC(F)F)CC3)nn2)cn1.
What is the InChIKey of N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The InChIKey is HGKDOXNPVNADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O4/c1-14-3-4-16(11-27-14)23-19(15(2)35-31-23)12-34-22-10-9-20(29-30-22)24(32)28-17-5-7-18(8-6-17)33-13-21(25)26/h3-4,9-11,17-18,21H,5-8,12-13H2,1-2H3,(H,28,32).
What are the key properties of N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 134588497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).