[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

C22H32N4O2 — CID 42483716

IUPAC[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C22H32N4O2/c1-4-6-19-24-18-7-5-11-23-20(18)26(19)17-8-12-25(13-9-17)21(27)16-10-14-28-22(2,3)15-16/h5,7,11,16-17H,4,6,8-10,12-15H2,1-3H3/t16-/m0/s1
InChIKeyZMDHOPVDKFYZQO-INIZCTEOSA-N
MW384.52 g/mol
LogP3.75
Rot. Bonds4

About [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone

[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 42483716) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID42483716
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C22H32N4O2/c1-4-6-19-24-18-7-5-11-23-20(18)26(19)17-8-12-25(13-9-17)21(27)16-10-14-28-22(2,3)15-16/h5,7,11,16-17H,4,6,8-10,12-15H2,1-3H3/t16-/m0/s1
InChIKeyZMDHOPVDKFYZQO-INIZCTEOSA-N
XLogP3.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-2,2-dimethyloxan-4-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484058
[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42451966
1,3-benzodioxol-5-yl-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108192
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 45166050
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050175
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186
2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 118758723
N-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899

Frequently Asked Questions

What is the IUPAC name of [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone (CID 42483716) is [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is CCCc1nc2cccnc2n1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1.
What is the InChIKey of [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZMDHOPVDKFYZQO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-6-19-24-18-7-5-11-23-20(18)26(19)17-8-12-25(13-9-17)21(27)16-10-14-28-22(2,3)15-16/h5,7,11,16-17H,4,6,8-10,12-15H2,1-3H3/t16-/m0/s1.
What are the key properties of [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone?
[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 384.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42483716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).