N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

C23H22F2N6O — CID 134391603

IUPACN-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOc1nc(-c2cc(C)c(N[C@@H](C)c3cc(F)cc(F)c3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F2N6O/c1-13-7-20(19-5-6-21(23(28-19)32-4)31-11-14(2)26-12-31)29-30-22(13)27-15(3)16-8-17(24)10-18(25)9-16/h5-12,15H,1-4H3,(H,27,30)/t15-/m0/s1
InChIKeyDIYNYEGNVUSOIR-HNNXBMFYSA-N
MW436.47 g/mol
LogP4.80
Rot. Bonds6

About N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine

N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (PubChem CID 134391603) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
PubChem CID134391603
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
SMILESCOc1nc(-c2cc(C)c(N[C@@H](C)c3cc(F)cc(F)c3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F2N6O/c1-13-7-20(19-5-6-21(23(28-19)32-4)31-11-14(2)26-12-31)29-30-22(13)27-15(3)16-8-17(24)10-18(25)9-16/h5-12,15H,1-4H3,(H,27,30)/t15-/m0/s1
InChIKeyDIYNYEGNVUSOIR-HNNXBMFYSA-N
XLogP4.80
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine (CID 134391603) is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine.
What is the SMILES notation for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The canonical SMILES for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is COc1nc(-c2cc(C)c(N[C@@H](C)c3cc(F)cc(F)c3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
The InChIKey is DIYNYEGNVUSOIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-13-7-20(19-5-6-21(23(28-19)32-4)31-11-14(2)26-12-31)29-30-22(13)27-15(3)16-8-17(24)10-18(25)9-16/h5-12,15H,1-4H3,(H,27,30)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine?
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine has a molecular weight of 436.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine is sourced from PubChem (CID 134391603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).