[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C24H25FN6O — CID 134391177

IUPAC[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1
InChIInChI=1S/C24H25FN6O/c1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18/h4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30)
InChIKeyDXMKMVGOEOBTDP-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.02
Rot. Bonds7

About [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 134391177) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID134391177
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1
InChIInChI=1S/C24H25FN6O/c1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18/h4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30)
InChIKeyDXMKMVGOEOBTDP-UHFFFAOYSA-N
XLogP4.02
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 134391177) is [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is Cc1cn(-c2ccc(-c3cc(C)c(NC(C)Cc4ccc(F)cc4)nn3)nc2CO)cn1.
What is the InChIKey of [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is DXMKMVGOEOBTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-15-10-21(20-8-9-23(22(13-32)28-20)31-12-17(3)26-14-31)29-30-24(15)27-16(2)11-18-4-6-19(25)7-5-18/h4-10,12,14,16,32H,11,13H2,1-3H3,(H,27,30).
What are the key properties of [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 432.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[1-(4-fluorophenyl)propan-2-ylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134391177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).