1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C32H34FN7O2 — CID 157184939

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
InChIInChI=1S/C32H34FN7O2/c1-32(2,3)31-38-29(39-42-31)26(41)10-8-20-5-6-21(17-24(20)33)23-11-14-34-30-27(23)36-28(37-30)25-9-7-22(18-35-25)19-12-15-40(4)16-13-19/h5-7,9,11,14,17-19H,8,10,12-13,15-16H2,1-4H3,(H,34,36,37)
InChIKeyAOZXEUQJWPDGKR-UHFFFAOYSA-N
MW567.67 g/mol
LogP6.13
Rot. Bonds7

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 157184939) has the molecular formula C32H34FN7O2 and a molecular weight of 567.67 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID157184939
Molecular FormulaC32H34FN7O2
Molecular Weight567.67 g/mol
Exact Mass567.28
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
InChIInChI=1S/C32H34FN7O2/c1-32(2,3)31-38-29(39-42-31)26(41)10-8-20-5-6-21(17-24(20)33)23-11-14-34-30-27(23)36-28(37-30)25-9-7-22(18-35-25)19-12-15-40(4)16-13-19/h5-7,9,11,14,17-19H,8,10,12-13,15-16H2,1-4H3,(H,34,36,37)
InChIKeyAOZXEUQJWPDGKR-UHFFFAOYSA-N
XLogP6.13
TPSA113.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

US11098041, Example 116
CID 121249996
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(3H-imidazo[4,5-b]pyridin-6-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 9894997
3-(4-Piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266373
N-Ethyl-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carboxamide
CID 58266536
US11098041, Example 28
CID 121249953
US11071730, Example 160
CID 146640060
US20230339939, Example 6
CID 162687674
4-[4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
CID 86293204
1-[4-[4-[6-[(3-fluorophenyl)methylamino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 90412438
US11098041, Example 83
CID 121249686
US11098041, Example 134
CID 121249689
US11098041, Example 160
CID 121249692

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 157184939) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is AOZXEUQJWPDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O2/c1-32(2,3)31-38-29(39-42-31)26(41)10-8-20-5-6-21(17-24(20)33)23-11-14-34-30-27(23)36-28(37-30)25-9-7-22(18-35-25)19-12-15-40(4)16-13-19/h5-7,9,11,14,17-19H,8,10,12-13,15-16H2,1-4H3,(H,34,36,37).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 567.67 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 157184939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).