bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)

C68H88F2N10O8S2 — CID 159151284

IUPACbis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)
SMILESCS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1
InChIInChI=1S/2C17H21FN2O.2C17H23N3O3S/c2*18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;2*1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19/h2*6-7,9-11,13-14,17,21H,1-5,8H2;2*6,8-9,11-13,17,21H,2-5,7,10H2,1H3/t2*13-,14+,17?;;/m11../s1
InChIKeyKJIBRCGQRAIGPQ-RQDCNHLASA-N
MW1275.64 g/mol
LogP11.38
Rot. Bonds14

About bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)

bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol) (PubChem CID 159151284) has the molecular formula C68H88F2N10O8S2 and a molecular weight of 1275.64 g/mol. Its IUPAC name is bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol).

Molecular Properties

Compound Namebis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)
PubChem CID159151284
Molecular FormulaC68H88F2N10O8S2
Molecular Weight1275.64 g/mol
Exact Mass1274.62
IUPAC Namebis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)
SMILESCS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1
InChIInChI=1S/2C17H21FN2O.2C17H23N3O3S/c2*18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;2*1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19/h2*6-7,9-11,13-14,17,21H,1-5,8H2;2*6,8-9,11-13,17,21H,2-5,7,10H2,1H3/t2*13-,14+,17?;;/m11../s1
InChIKeyKJIBRCGQRAIGPQ-RQDCNHLASA-N
XLogP11.38
TPSA224.88 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms90
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.64
LogP ≤ 511.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)?
The IUPAC name of bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol) (CID 159151284) is bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol).
What is the SMILES notation for bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)?
The canonical SMILES for bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol) is CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.
What is the InChIKey of bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)?
The InChIKey is KJIBRCGQRAIGPQ-RQDCNHLASA-N. The full InChI is InChI=1S/2C17H21FN2O.2C17H23N3O3S/c2*18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;2*1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19/h2*6-7,9-11,13-14,17,21H,1-5,8H2;2*6,8-9,11-13,17,21H,2-5,7,10H2,1H3/t2*13-,14+,17?;;/m11../s1.
What are the key properties of bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol)?
bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol) has a molecular weight of 1275.64 g/mol, XLogP of 11.38, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol);bis((7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol) is sourced from PubChem (CID 159151284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).