4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol

C21H27ClN6O3S — CID 175594429

IUPAC4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol
SMILESCc1nc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4O)ncc3Cl)nc2n1C(C)C
InChIInChI=1S/C21H27ClN6O3S/c1-12(2)28-13(3)24-18-6-5-16(26-21(18)28)14-9-20(23-10-15(14)22)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25)
InChIKeyFZXIKXAEEYJOOI-UHFFFAOYSA-N
MW479.01 g/mol
LogP2.84
Rot. Bonds5

About 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol

4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol (PubChem CID 175594429) has the molecular formula C21H27ClN6O3S and a molecular weight of 479.01 g/mol. Its IUPAC name is 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol
PubChem CID175594429
Molecular FormulaC21H27ClN6O3S
Molecular Weight479.01 g/mol
Exact Mass478.16
IUPAC Name4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol
SMILESCc1nc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4O)ncc3Cl)nc2n1C(C)C
InChIInChI=1S/C21H27ClN6O3S/c1-12(2)28-13(3)24-18-6-5-16(26-21(18)28)14-9-20(23-10-15(14)22)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25)
InChIKeyFZXIKXAEEYJOOI-UHFFFAOYSA-N
XLogP2.84
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.01
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R,4R)-4-[[5-chloro-4-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 155277190
(3R,4R)-4-[[5-chloro-4-[7-fluoro-2-[(1R)-1-hydroxyethyl]-3-propan-2-ylbenzimidazol-5-yl]-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol
CID 146219856
4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
CID 155600042
5-(2,5-dichloro-4-pyridinyl)-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
CID 146232496
(3S,4S)-4-[[5-fluoro-4-(6-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 155903593
4-[[4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-5-propan-2-ylpyrimidin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 175594437
(3R,4R)-4-[[7-(4-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 169117547
1-[6-[5-chloro-2-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]ethanone
CID 146219870
(3R)-4-[[5-chloro-4-[7-fluoro-2-(oxetan-2-yloxymethyl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 175594451
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
(3R,4R)-4-[[5-fluoro-7-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 169116972
N-(4-fluorophenyl)-6-[(3-hydroxy-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 118526852

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol (CID 175594429) is 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol is Cc1nc2ccc(-c3cc(NC4CCN(S(C)(=O)=O)CC4O)ncc3Cl)nc2n1C(C)C.
What is the InChIKey of 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol?
The InChIKey is FZXIKXAEEYJOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O3S/c1-12(2)28-13(3)24-18-6-5-16(26-21(18)28)14-9-20(23-10-15(14)22)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25).
What are the key properties of 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol?
4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol has a molecular weight of 479.01 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]amino]-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 175594429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).