4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol

C22H25N7OS — CID 87379418

IUPAC4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1nccn1Cc1cc(Nc2nc3cccnc3s2)nc(NC2CCC(O)CC2)c1
InChIInChI=1S/C22H25N7OS/c1-14-23-9-10-29(14)13-15-11-19(25-16-4-6-17(30)7-5-16)27-20(12-15)28-22-26-18-3-2-8-24-21(18)31-22/h2-3,8-12,16-17,30H,4-7,13H2,1H3,(H2,25,26,27,28)
InChIKeyFBYBYLGWQWIEGE-UHFFFAOYSA-N
MW435.56 g/mol
LogP4.10
Rot. Bonds6

About 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol

4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 87379418) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID87379418
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCc1nccn1Cc1cc(Nc2nc3cccnc3s2)nc(NC2CCC(O)CC2)c1
InChIInChI=1S/C22H25N7OS/c1-14-23-9-10-29(14)13-15-11-19(25-16-4-6-17(30)7-5-16)27-20(12-15)28-22-26-18-3-2-8-24-21(18)31-22/h2-3,8-12,16-17,30H,4-7,13H2,1H3,(H2,25,26,27,28)
InChIKeyFBYBYLGWQWIEGE-UHFFFAOYSA-N
XLogP4.10
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380351
4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87071083
2-[(4-hydroxycyclohexyl)amino]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidine-4-carbaldehyde
CID 86662799
4-[[4-[(2-methylpyrrolidin-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87071049
4-[[4-[[ethyl(propan-2-yl)amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 87070433
1-[4-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 56941863
N-[(1R,3R)-3-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexyl]prop-2-enamide
CID 56941430
1-[(3S)-3-[[4-[(4-methylpiperazin-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 56942441
2-methylpropyl 4-[[4-formyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 87158380
1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
CID 123656298
4-[[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 53379572
4-[[6-[[6-(1-ethylindol-6-yl)-1,3-benzothiazol-2-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 87386684

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol (CID 87379418) is 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol is Cc1nccn1Cc1cc(Nc2nc3cccnc3s2)nc(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is FBYBYLGWQWIEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-14-23-9-10-29(14)13-15-11-19(25-16-4-6-17(30)7-5-16)27-20(12-15)28-22-26-18-3-2-8-24-21(18)31-22/h2-3,8-12,16-17,30H,4-7,13H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 435.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-methylimidazol-1-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 87379418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).