5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C25H31N7O5S — CID 123624001

IUPAC5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCOc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(N6C=C(O)NS6(=O)=O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N7O5S/c1-36-23-9-7-20-25(28-23)29-24(27-20)16-2-8-21(26-14-16)31-12-10-19(11-13-31)37-18-5-3-17(4-6-18)32-15-22(33)30-38(32,34)35/h2,7-9,14-15,17-19,30,33H,3-6,10-13H2,1H3,(H,27,28,29)
InChIKeyJQYODNBPNSLHSS-UHFFFAOYSA-N
MW541.63 g/mol
LogP2.83
Rot. Bonds6

About 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 123624001) has the molecular formula C25H31N7O5S and a molecular weight of 541.63 g/mol. Its IUPAC name is 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID123624001
Molecular FormulaC25H31N7O5S
Molecular Weight541.63 g/mol
Exact Mass541.21
IUPAC Name5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCOc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(N6C=C(O)NS6(=O)=O)CC5)CC4)nc3)nc2n1
InChIInChI=1S/C25H31N7O5S/c1-36-23-9-7-20-25(28-23)29-24(27-20)16-2-8-21(26-14-16)31-12-10-19(11-13-31)37-18-5-3-17(4-6-18)32-15-22(33)30-38(32,34)35/h2,7-9,14-15,17-19,30,33H,3-6,10-13H2,1H3,(H,27,28,29)
InChIKeyJQYODNBPNSLHSS-UHFFFAOYSA-N
XLogP2.83
TPSA145.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[1-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 71557980
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
[4-[1-[5-(6-butyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl] acetate
CID 71078485
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
3-[1-[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 71110159
3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 71110433
5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 167913792
5-ethoxy-2-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 79815692
methane;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 162124039
2-[1-[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]pyrimidin-2-yl]piperidin-4-yl]acetic acid
CID 70355632
2-[(3aS,6aR)-5-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]acetic acid
CID 71110532

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 123624001) is 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is COc1ccc2[nH]c(-c3ccc(N4CCC(OC5CCC(N6C=C(O)NS6(=O)=O)CC5)CC4)nc3)nc2n1.
What is the InChIKey of 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is JQYODNBPNSLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O5S/c1-36-23-9-7-20-25(28-23)29-24(27-20)16-2-8-21(26-14-16)31-12-10-19(11-13-31)37-18-5-3-17(4-6-18)32-15-22(33)30-38(32,34)35/h2,7-9,14-15,17-19,30,33H,3-6,10-13H2,1H3,(H,27,28,29).
What are the key properties of 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 541.63 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 123624001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).