1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile

C24H32FN7O — CID 123968270

IUPAC1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCOCC(C)NC1CCC(Nc2cc(-c3cnnc(NCC4(C#N)CC4)c3)c(F)cn2)CC1
InChIInChI=1S/C24H32FN7O/c1-16(13-33-2)30-18-3-5-19(6-4-18)31-22-10-20(21(25)12-27-22)17-9-23(32-29-11-17)28-15-24(14-26)7-8-24/h9-12,16,18-19,30H,3-8,13,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyAHLYFOCPTQHRJD-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.74
Rot. Bonds10

About 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile

1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 123968270) has the molecular formula C24H32FN7O and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID123968270
Molecular FormulaC24H32FN7O
Molecular Weight453.57 g/mol
Exact Mass453.27
IUPAC Name1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCOCC(C)NC1CCC(Nc2cc(-c3cnnc(NCC4(C#N)CC4)c3)c(F)cn2)CC1
InChIInChI=1S/C24H32FN7O/c1-16(13-33-2)30-18-3-5-19(6-4-18)31-22-10-20(21(25)12-27-22)17-9-23(32-29-11-17)28-15-24(14-26)7-8-24/h9-12,16,18-19,30H,3-8,13,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyAHLYFOCPTQHRJD-UHFFFAOYSA-N
XLogP3.74
TPSA107.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

5,6-Dimethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 45809353
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117077445
1-[[[6-[5-fluoro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-2-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 60141560
1-[[[6-[5-Fluoro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]-4-pyridinyl]-2-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 60141844
1-[[[5-[5-fluoro-2-[[4-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635066
1-[[[2-Fluoro-5-[5-fluoro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635067
1-[[[2-fluoro-5-[5-fluoro-2-[[4-[[(2S)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635184
1-[[[5-[5-Fluoro-2-[[4-(2-methoxyethylamino)cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635772
1-[[[2-fluoro-5-[5-fluoro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635774
1-[[[5-[5-fluoro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-3-pyridinyl]amino]methyl]cyclopropane-1-carbonitrile
CID 67635779
1-N-[5-fluoro-4-[6-fluoro-5-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-2-pyridinyl]-4-N-[(2S)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 67635864
4-N-[5-fluoro-4-[6-fluoro-5-[(1-methylcyclopropyl)methylamino]-3-pyridinyl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 67635865

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile (CID 123968270) is 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile is COCC(C)NC1CCC(Nc2cc(-c3cnnc(NCC4(C#N)CC4)c3)c(F)cn2)CC1.
What is the InChIKey of 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is AHLYFOCPTQHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O/c1-16(13-33-2)30-18-3-5-19(6-4-18)31-22-10-20(21(25)12-27-22)17-9-23(32-29-11-17)28-15-24(14-26)7-8-24/h9-12,16,18-19,30H,3-8,13,15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 453.57 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-[5-fluoro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]-4-pyridinyl]pyridazin-3-yl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 123968270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).